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Substance Name: Pyridinium, 1-ethyl-4-(p-(p-((p-((1-ethylpyridinium-4-yl)amino)-2-aminophenyl)carbamoyl)cinnamamido)anilino)-, dibromide
RN: 102584-01-0
InChIKey: KSUYRTOPYWQEPE-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H37-N7-O2.2Br

Molecular Weight

  • 759.5433
 
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Names and Synonyms

  • Pyridinium, 1-ethyl-4-(p-(p-((p-((1-ethylpyridinium-4-yl)amino)-2-aminophenyl)carbamoyl)cinnamamido)anilino)-, dibromide

Registry Numbers

CAS Registry Number

  • 102584-01-0

System Generated Number

  • 0102584010

Molecular Formulas

Molecular Formula

  • C36-H37-N7-O2.2Br

Molecular Formula Fragments

  • Br
  • C36-H37-N7-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C36H35N7O2.2BrH/c1-3-42-21-17-30(18-22-42)38-28-10-12-29(13-11-28)40-35(44)16-7-26-5-8-27(9-6-26)36(45)41-34-15-14-32(25-33(34)37)39-31-19-23-43(4-2)24-20-31;;/h5-25H,3-4H2,1-2H3,(H4,37,40,41,44,45);2*1H

InChIKey

KSUYRTOPYWQEPE-UHFFFAOYSA-N

Smiles

CC[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)/C=C/c3ccc(cc3)C(=O)Nc4ccc(cc4N)Nc5cc[n+](cc5)CC.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 7500ug/kg (7.5mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.