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Substance Name: 1,4-Butanedisulfon-m-anisidide, 4',4''-bis(4-quinolylamino)-, dihydrochloride, hydrate
RN: 66799-65-3
InChIKey: DDMPRQINGZESBM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C36-H36-N6-O6-S2.2Cl-H.H2-O

Molecular Weight

  • 785.77
 
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Names and Synonyms

Synonym

  • 4',4''-Bis(4-quinolylamino)-1,4-butanedisulfon-m-anisidide dihydrochloride hydrate

Systematic Name

  • 1,4-Butanedisulfon-m-anisidide, 4',4''-bis(4-quinolylamino)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 66799-65-3

System Generated Number

  • 0066799653

Molecular Formulas

Molecular Formula

  • C36-H36-N6-O6-S2.2Cl-H.H2-O

Molecular Formula Fragments

  • C36-H36-N6-O6-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C36H36N6O6S2.2ClH/c1-47-35-23-25(13-15-33(35)39-31-17-19-37-29-11-5-3-9-27(29)31)41-49(43,44)21-7-8-22-50(45,46)42-26-14-16-34(36(24-26)48-2)40-32-18-20-38-30-12-6-4-10-28(30)32;;/h3-6,9-20,23-24,41-42H,7-8,21-22H2,1-2H3,(H,37,39)(H,38,40);2*1H

InChIKey

DDMPRQINGZESBM-UHFFFAOYSA-N

Smiles

c1(c2c(ncc1)cccc2)[NH+]c1c(cc(NS(CCCCS(Nc2cc(c([NH+]c3c4c(ncc3)cccc4)cc2)OC)(=O)=O)(=O)=O)cc1)OC.[ClH-].[ClH-]