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Substance Name: Quinolinium, 1-propyl-6-(p-((1-propylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
RN: 18519-60-3
InChIKey: PKJFWDQHJVDWCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H36-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 875.075
 
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Names and Synonyms

Synonyms

  • 6,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-propylquinolinium) ditosylate
  • Quinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-propyl-, ditosylate

Systematic Names

  • Quinolinium, 1-propyl-6-(p-((1-propylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
  • Quinolinium, 6-((1-oxo-3-(4-(((1-propylquinolinium-6-yl)amino)carbonyl)phenyl)propyl)amino)-1-propyl-, salt with 4-methylbenzenesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 18519-60-3

System Generated Number

  • 0018519603

Molecular Formulas

Molecular Formula

  • C34-H36-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H36-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H34N4O2.2C7H8O3S/c1-3-19-37-21-5-7-27-23-29(14-16-31(27)37)35-33(39)18-11-25-9-12-26(13-10-25)34(40)36-30-15-17-32-28(24-30)8-6-22-38(32)20-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-10,12-17,21-24H,3-4,11,18-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

PKJFWDQHJVDWCH-UHFFFAOYSA-N

Smiles

c1c(ccc(C(Nc2cc3ccc[n+](c3cc2)CCC)=O)c1)CCC(Nc1cc2c([n+](CCC)ccc2)cc1)=O.c1c(ccc(c1)S([O-])(=O)=O)C.c1c(ccc(c1)S([O-])(=O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 2mg/kg (2mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.