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Substance Name: Benzoic acid, o-((4-(bis(2-chloroethyl)amino)-2-methylphenyl)azo)-, sodium salt
ID: DG44255000
InChIKey: LOLMYYYBXYZBFM-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H18-Cl2-N3-O2.Na

Molecular Weight

  • 402.2552
 
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Names and Synonyms

Synonyms

  • 4-Di-2''-chloroethylamino-2-methylazobenzene-2'-carboxylic acid sodium salt
  • CB 1414
  • o-((4-(Bis(2-chloroethyl)amino)-2-methylphenyl)azo)benzoic acid sodium salt

Systematic Name

  • Benzoic acid, o-((4-(bis(2-chloroethyl)amino)-2-methylphenyl)azo)-, sodium salt

Registry Numbers

ID Number

  • NIOSH/DG4425500

System Generated Number

  • DG44255000

Molecular Formulas

Molecular Formula

  • C18-H18-Cl2-N3-O2.Na

Molecular Formula Fragments

  • C18-H18-Cl2-N3-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H19Cl2N3O2.Na/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);/q;+1/p-1

InChIKey

LOLMYYYBXYZBFM-UHFFFAOYSA-M

Smiles

[Na+].Cc1cc(ccc1N=Nc2ccccc2C(=O)[O-])N(CCCl)CCCl