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Substance Name: AI 3-26381
RN: 4213-40-5
InChIKey: JRQFCUCILBFUNR-QURGRASLSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H19-Cl2-N3-O2

Molecular Weight

  • 380.273
 
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Names and Synonyms

Results Name

  • AI 3-26381

Synonyms

  • 2'-Carboxy-2-methylphenylazo nitrogen mustard
  • 4-(N,N-Di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene
  • 4-16-00-00536 (Beilstein Handbook Reference)
  • AI3-26381
  • Azo Mustard
  • Azo-mustard
  • Azobenzene-2-carboxylic acid, 4'-(di-2''-chloroethylamino)-2'-methyl-
  • Benzoic acid, 2-(4-bis(2-chloroethyl)amino-(2-methylphenyl))azo-
  • Benzoic acid, 2-(4-bis(2-chloroethyl)amino-1-(o-tolyl))azo-
  • Benzoic acid, o-(4-(bis(2-chloroethyl)amino)-o-tolylazo)-
  • BRN 3443540
  • CB 1414
  • NSC-16498
  • o-(4-Bis(beta-chloroethyl)amino-o-tolylazo)benzoic acid

Systematic Names

  • Benzoic acid, 2-(4-bis(2-chloroethyl)amino-2-methyl)phenylazo-
  • Benzoic acid, o-((4-((2-chloroethyl)amino)-o-tolyl)azo)- (8CI)

Registry Numbers

CAS Registry Number

  • 4213-40-5

System Generated Number

  • 0004213405

Structure Descriptors

InChI

1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+

InChIKey

JRQFCUCILBFUNR-QURGRASLSA-N

Smiles

c1(N(CCCl)CCCl)cc(c(\N=N\c2c(cccc2)C(O)=O)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 950ug/kg (0.95mg/kg) BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA

GASTROINTESTINAL: OTHER CHANGES
Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 202, 1965.
monkey LDLo intravenous 950ug/kg (0.95mg/kg) BLOOD: OTHER CHANGES

BLOOD: THROMBOCYTOPENIA

BLOOD: LEUKOPENIA
Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 202, 1965.
mouse LD10 intraperitoneal 10mg/kg (10mg/kg)   Cancer Chemotherapy Reports. Vol. 17, Pg. 56, 1962.
rat LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of the National Cancer Institute. Vol. 50, Pg. 243, 1973.