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Substance Name: Cain quinolinium
RN: 42013-69-4
InChIKey: OIPLMVLJMKFSDI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H32-N6-O.2Br

Molecular Weight

  • 664.443
 
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Names and Synonyms

Name of Substance

  • Cain quinolinium

Synonym

  • NSC 113089

Systematic Name

  • Quinolinium, 6-amino-1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide

Registry Numbers

CAS Registry Number

  • 42013-69-4

System Generated Number

  • 0042013694

Molecular Formulas

Molecular Formula

  • C31-H32-N6-O.2Br

Molecular Formula Fragments

  • Br
  • C31-H32-N6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C31H30N6O.2BrH/c1-3-36-18-15-27(16-19-36)33-24-10-12-26(13-11-24)35-31(38)22-5-8-25(9-6-22)34-29-17-20-37(4-2)30-14-7-23(32)21-28(29)30;;/h5-21H,3-4,32H2,1-2H3,(H,35,38);2*1H

InChIKey

OIPLMVLJMKFSDI-UHFFFAOYSA-N

Smiles

[n+]1(ccc(c2cc(ccc12)N)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)CC)CC.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.