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Substance Name: 2-Naphthalenesulfonic acid, 6-((p-(bis(2-chloroethyl)amino)phenyl)azo)-
RN: 101931-38-8
InChIKey: ZTJISAAUEAKLNY-WCWDXBQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl2-N3-O3-S

Molecular Weight

  • 452.36
 
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Names and Synonyms

Synonyms

  • 4-16-00-00514 (Beilstein Handbook Reference)
  • 6-((p-(Bis(2-chloroethyl)amino)phenyl)azo)-2-naphthalenesulfonic acid
  • 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid
  • BRN 3486433

Systematic Name

  • 2-Naphthalenesulfonic acid, 6-((p-(bis(2-chloroethyl)amino)phenyl)azo)-

Registry Numbers

CAS Registry Number

  • 101931-38-8

System Generated Number

  • 0101931388

Structure Descriptors

InChI

1S/C20H19Cl2N3O3S/c21-9-11-25(12-10-22)19-6-4-17(5-7-19)23-24-18-3-1-16-14-20(29(26,27)28)8-2-15(16)13-18/h1-8,13-14H,9-12H2,(H,26,27,28)/b24-23+

InChIKey

ZTJISAAUEAKLNY-WCWDXBQESA-N

Smiles

c12c(cc(\N=N\c3ccc(N(CCCl)CCCl)cc3)cc2)ccc(c1)S(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 350mg/kg (350mg/kg)   Pharmaceutical Bulletin. Vol. 5, Pg. 199, 1957.