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Substance Name: Quinolinium, 1-butyl-6-(p-(1-butyl-6-quinoliniocarbamoyl)carbaniloyl)-, ditosylate
RN: 19055-99-3
InChIKey: NNSGDZSZBLNVBC-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

Synonym

  • 1-Butyl-6-(p-(1-butyl-6-quinoliniocarbamoyl)carbaniloyl)quinolinium ditosylate

Systematic Name

  • Quinolinium, 1-butyl-6-(p-(1-butyl-6-quinoliniocarbamoyl)carbaniloyl)-, ditosylate

Registry Numbers

CAS Registry Number

  • 19055-99-3

System Generated Number

  • 0019055993

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/c1-3-5-19-37-21-7-9-26-23-28(13-17-31(26)37)34(40)35-29-14-11-25(12-15-29)33(39)36-30-16-18-32-27(24-30)10-8-22-38(32)20-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18,21-24H,3-6,19-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

NNSGDZSZBLNVBC-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)C(=O)Nc1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CCCC)CCCC.c1(S(=O)(=O)[O-])ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.