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Substance Name: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-butyl-, di-p-toluenesulfonate
RN: 14120-94-6
InChIKey: FYZLDWSQCPBNPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H35-N5-O2.2C7-H7-O3-S

Molecular Weight

  • 876.063
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14120-94-6

System Generated Number

  • 0014120946

Molecular Formulas

Molecular Formula

  • C33-H35-N5-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H35-N5-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H33N5O2.2C7H8O3S/c1-3-5-17-37-19-7-9-24-11-14-27(21-30(24)37)35-32(39)26-13-16-29(34-23-26)33(40)36-28-15-12-25-10-8-20-38(18-6-4-2)31(25)22-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-16,19-23H,3-6,17-18H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

FYZLDWSQCPBNPE-UHFFFAOYSA-N

Smiles

c1(S(=O)([O-])=O)ccc(C)cc1.n1cc(ccc1C(Nc1ccc2ccc[n+](CCCC)c2c1)=O)C(Nc1ccc2ccc[n+](c2c1)CCCC)=O.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.