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Substance Name: Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate
RN: 18519-63-6
InChIKey: FWQHFLFKNDAMFG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H40-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 903.129
 
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Names and Synonyms

Synonyms

  • 6,6'-(p-Phenylenebis(methylenecarbonylimino))bis(1-butylquinolinium) ditosylate
  • Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, ditosylate

Systematic Name

  • Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18519-63-6

System Generated Number

  • 0018519636

Molecular Formulas

Molecular Formula

  • C36-H40-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H40-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H38N4O2.2C7H8O3S/c1-3-5-19-39-21-7-9-29-25-31(15-17-33(29)39)37-35(41)23-27-11-13-28(14-12-27)24-36(42)38-32-16-18-34-30(26-32)10-8-22-40(34)20-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18,21-22,25-26H,3-6,19-20,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

FWQHFLFKNDAMFG-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)CC(=O)Nc1cc2ccc[n+](c2cc1)CCCC)CC(=O)Nc1cc2ccc[n+](c2cc1)CCCC.c1(S([O-])(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 1mg/kg (1mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.