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Substance Name: 1,5-Naphthalenedisulfonic acid, 3-((p-(bis(2-chloroethyl)amino)phenyl)azo)-
RN: 101931-20-8
InChIKey: AZKAYVZYOJQXRF-WCWDXBQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl2-N3-O6-S2

Molecular Weight

  • 532.423
 
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Names and Synonyms

Synonyms

  • 3-((p-(Bis(2-chloroethyl)amino)phenyl)azo)-1,5-naphthalenedisulfonic acid
  • 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid
  • 4-16-00-00514 (Beilstein Handbook Reference)
  • BRN 3516411

Systematic Name

  • 1,5-Naphthalenedisulfonic acid, 3-((p-(bis(2-chloroethyl)amino)phenyl)azo)-

Registry Numbers

CAS Registry Number

  • 101931-20-8

System Generated Number

  • 0101931208

Structure Descriptors

InChI

1S/C20H19Cl2N3O6S2/c21-8-10-25(11-9-22)16-6-4-14(5-7-16)23-24-15-12-18-17(20(13-15)33(29,30)31)2-1-3-19(18)32(26,27)28/h1-7,12-13H,8-11H2,(H,26,27,28)(H,29,30,31)/b24-23+

InChIKey

AZKAYVZYOJQXRF-WCWDXBQESA-N

Smiles

c12c(c(ccc2)S(O)(=O)=O)cc(\N=N\c2ccc(N(CCCl)CCCl)cc2)cc1S(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.