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Substance Name: Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
RN: 14120-93-5
InChIKey: OHIMFGPUGASRQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H32-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 847.021
 
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Names and Synonyms

Synonyms

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

Systematic Names

  • Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
  • Quinolinium, 6,6'-(1,4-phenylenebis(1-oxo-2,1-ethanediyl)imino)bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 14120-93-5

System Generated Number

  • 0014120935

Molecular Formulas

Molecular Formula

  • C32-H32-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H32-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H30N4O2.2C7H8O3S/c1-3-35-17-5-7-25-21-27(13-15-29(25)35)33-31(37)19-23-9-11-24(12-10-23)20-32(38)34-28-14-16-30-26(22-28)8-6-18-36(30)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-18,21-22H,3-4,19-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

OHIMFGPUGASRQY-UHFFFAOYSA-N

Smiles

c1c(ccc(c1)S(=O)(=O)[O-])C.c1c(ccc(c1)S([O-])(=O)=O)C.c1cc2c(cc1NC(Cc1ccc(cc1)CC(Nc1cc3c(cc1)[n+](ccc3)CC)=O)=O)ccc[n+]2CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 1600ug/kg (1.6mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.