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Substance Name: SN 13232
RN: 60172-01-2
InChIKey: XTPNBUJEUWMOAP-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H36-N6-O2.2Br

Molecular Weight

  • 684.473
 
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Names and Synonyms

Name of Substance

  • SN 13232

Synonym

  • 4,4'-(Pimeloylbis(imino-p-phenyleneimino))bis(1-methylpyridinium) dibromide

Systematic Names

  • Pyridinium, 4,4'-((1,7-dioxo-1,7-heptanediyl)bis(imino-4,1-phenyleneimino))bis(1-methyl-, dibromide
  • Pyridinium, 4,4'-(pimeloylbis(imino-p-phenyleneimino))bis(1-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 60172-01-2

System Generated Number

  • 0060172012

Molecular Formulas

Molecular Formula

  • C31-H36-N6-O2.2Br

Molecular Formula Fragments

  • Br
  • C31-H36-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C31H34N6O2.2BrH/c1-36-20-16-28(17-21-36)32-24-8-12-26(13-9-24)34-30(38)6-4-3-5-7-31(39)35-27-14-10-25(11-15-27)33-29-18-22-37(2)23-19-29;;/h8-23H,3-7H2,1-2H3,(H2,34,35,38,39);2*1H

InChIKey

XTPNBUJEUWMOAP-UHFFFAOYSA-N

Smiles

c1[n+](C)ccc(c1)Nc1ccc(cc1)NC(CCCCCC(Nc1ccc(cc1)Nc1cc[n+](cc1)C)=O)=O.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.