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Substance Name: Quinolinium, 1-pentyl-6-(alpha-((1-pentylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate
RN: 18520-46-2
InChIKey: RWRQOWJZMFMJIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H42-N4-O3.2C7-H7-O3-S

Molecular Weight

  • 933.154
 
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Names and Synonyms

Synonyms

  • 1-Pentyl-6-(p-(1-pentyl-6-quinoliniocarbamoyl)phenoxyacetamido)quinolinium ditosylate
  • Quinolinium, 1-pentyl-6-(p-(1-pentyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate

Systematic Name

  • Quinolinium, 1-pentyl-6-(alpha-((1-pentylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-46-2

System Generated Number

  • 0018520462

Molecular Formulas

Molecular Formula

  • C37-H42-N4-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C37-H42-N4-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C37H40N4O3.2C7H8O3S/c1-3-5-7-21-40-23-9-11-29-25-31(15-19-34(29)40)38-36(42)27-44-33-17-13-28(14-18-33)37(43)39-32-16-20-35-30(26-32)12-10-24-41(35)22-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h9-20,23-26H,3-8,21-22,27H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

RWRQOWJZMFMJIF-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.[n+]1(cccc2cc(ccc12)NC(c1ccc(cc1)OCC(Nc1cc2ccc[n+](c2cc1)CCCCC)=O)=O)CCCCC.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.