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Substance Name: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 18519-67-0
InChIKey: XCLUPZQYGBBLPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H31-N5-O2.2C7-H7-O3-S

Molecular Weight

  • 848.01
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18519-67-0

System Generated Number

  • 0018519670

Molecular Formulas

Molecular Formula

  • C31-H31-N5-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C31-H31-N5-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H29N5O2.2C7H8O3S/c1-3-15-35-17-5-7-22-19-25(10-13-28(22)35)33-30(37)24-9-12-27(32-21-24)31(38)34-26-11-14-29-23(20-26)8-6-18-36(29)16-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-14,17-21H,3-4,15-16H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

XCLUPZQYGBBLPQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.