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Substance Name: Quinolinium, 1-propyl-6-(alpha-((-propylquinolinium-6-yl)carbamoyyl)-p-anisamido)-, di-p-toluenesulfonate
RN: 18520-44-0
InChIKey: VUBMWAIPFBSDIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H34-N4-O3.2C7-H7-O3-S

Molecular Weight

  • 879.063
 
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Names and Synonyms

Synonyms

  • 1-Propyl-6-(p-(1-propyl-6-quinoliniocarbamoyl)phenoxyacetamido)quinolinium ditosylate
  • Quinolinium, 1-propyl-6-(p-(1-propyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate

Systematic Name

  • Quinolinium, 1-propyl-6-(alpha-((-propylquinolinium-6-yl)carbamoyyl)-p-anisamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-44-0

System Generated Number

  • 0018520440

Molecular Formulas

Molecular Formula

  • C33-H34-N4-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H34-N4-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H34N4O3.2C7H8O3S/c1-3-16-33(17-15-29-26(22-33)7-5-18-34-29)36-31(38)23-40-28-12-9-24(10-13-28)32(39)35-27-11-14-30-25(21-27)8-6-20-37(30)19-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-15,18,20-22H,3-4,16-17,19,23H2,1-2H3,(H-,35,36,38,39);2*2-5H,1H3,(H,8,9,10)

InChIKey

VUBMWAIPFBSDIU-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)NC(c1ccc(cc1)OCC(N[C@@]1(C=c2ccc[n+]c2=CC1)CCC)=O)=O)CCC.c1(S(=O)(=O)[O-])ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 8300ug/kg (8.3mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.