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Substance Name: Quinolinium, 1-methyl-4-((4-(3-((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)3-oxo-1-propenyl)phenyl)amino)-, dibromide
RN: 68772-19-0
InChIKey: YHHDWZSJHZIHDR-NENXIMLWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H29-N5-O.2Br

Molecular Weight

  • 647.4121
 
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Names and Synonyms

  • Quinolinium, 1-methyl-4-((4-(3-((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)3-oxo-1-propenyl)phenyl)amino)-, dibromide

Registry Numbers

CAS Registry Number

  • 68772-19-0

System Generated Number

  • 0068772190

Molecular Formulas

Molecular Formula

  • C31-H29-N5-O.2Br

Molecular Formula Fragments

  • Br
  • C31-H29-N5-O
  • COMPONENT

Structure Descriptors

InChI

1S/C31H27N5O.2BrH/c1-35-20-17-27(18-21-35)32-24-12-14-26(15-13-24)34-31(37)16-9-23-7-10-25(11-8-23)33-29-19-22-36(2)30-6-4-3-5-28(29)30;;/h3-22H,1-2H3,(H,34,37);2*1H/b16-9+;;

InChIKey

YHHDWZSJHZIHDR-NENXIMLWSA-N

Smiles

C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)/C=C/c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C.[Br-].[Br-]

Toxicity

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