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Substance Name: 2,2'-Biphenyldisulfonic acid, 4,4'-bis(p-(bis(2-chloroethyl)amino)phenyl)azo)-, dihydrate
ID: DV52050000
InChIKey: DFOOXRCJSCRTHK-DVDDBBOFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H32-Cl4-N6-O6-S2.2H2-O

Molecular Weight

  • 838.6144
 
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Names and Synonyms

Synonym

  • 4,4'-Bis(4-bis(beta-chloroethyl)aminophenylazo)-2,2'-biphenyldisulfonic acid dihydrate

Systematic Name

  • 2,2'-Biphenyldisulfonic acid, 4,4'-bis(p-(bis(2-chloroethyl)amino)phenyl)azo)-, dihydrate

Registry Numbers

ID Number

  • NIOSH/DV5205000

System Generated Number

  • DV52050000

Molecular Formulas

Molecular Formula

  • C32-H32-Cl4-N6-O6-S2.2H2-O

Molecular Formula Fragments

  • C32-H32-Cl4-N6-O6-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C32H32Cl4N6O6S2.2H2O/c33-13-17-41(18-14-34)27-7-1-23(2-8-27)37-39-25-5-11-29(31(21-25)49(43,44)45)30-12-6-26(22-32(30)50(46,47)48)40-38-24-3-9-28(10-4-24)42(19-15-35)20-16-36;;/h1-12,21-22H,13-20H2,(H,43,44,45)(H,46,47,48);2*1H2/b39-37+,40-38+;;

InChIKey

DFOOXRCJSCRTHK-DVDDBBOFSA-N

Smiles

c1(ccc(\N=N\c2ccc(cc2)N(CCCl)CCCl)cc1S(=O)(=O)O)c1c(cc(cc1)\N=N\c1ccc(cc1)N(CCCl)CCCl)S(=O)(=O)O.O.O