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Substance Name: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-pentyl-, di-p-toluenesulfonate
RN: 18519-69-2
InChIKey: HQWMKSXAZDCEIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H39-N5-O2.2C7-H7-O3-S

Molecular Weight

  • 904.117
 
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Names and Synonyms

Synonyms

  • 6,6'-(Pyridin-2,5-diylbis(carbonylimino))bis(1-pentylquinolinium) ditosylate
  • Quinolinium, 6,6'-(pyridin-2,5-diylbis(carbonylimino))bis(1-pentyl-, ditosylate

Systematic Name

  • Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-pentyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18519-69-2

System Generated Number

  • 0018519692

Molecular Formulas

Molecular Formula

  • C35-H39-N5-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C35-H39-N5-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C35H37N5O2.2C7H8O3S/c1-3-5-7-19-39-21-9-11-26-23-29(14-17-32(26)39)37-34(41)28-13-16-31(36-25-28)35(42)38-30-15-18-33-27(24-30)12-10-22-40(33)20-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h9-18,21-25H,3-8,19-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

HQWMKSXAZDCEIH-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cn1)C(=O)Nc1cc2ccc[n+](c2cc1)CCCCC)C(=O)Nc1cc2ccc[n+](c2cc1)CCCCC.c1(S([O-])(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.