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Substance Name: Quinolinium, 1-butyl-6-(alpha-((1-butylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate
RN: 18520-45-1
InChIKey: JTWHAKHOQZWYSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H39-N4-O3.2C7-H7-O3-S

Molecular Weight

  • 905.101
 
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Names and Synonyms

  • Quinolinium, 1-butyl-6-(alpha-((1-butylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-45-1

System Generated Number

  • 0018520451

Molecular Formulas

Molecular Formula

  • C35-H39-N4-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C35-H39-N4-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C35H36N4O3.2C7H8O3S/c1-3-5-19-38-21-7-9-27-23-29(13-17-32(27)38)36-34(40)25-42-31-15-11-26(12-16-31)35(41)37-30-14-18-33-28(24-30)10-8-22-39(33)20-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18,21-24H,3-6,19-20,25H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

JTWHAKHOQZWYSX-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)NC(=O)COc1ccc(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 210mg/kg (210mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.