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Substance Name: Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)cinnamamido)-, di-p-toluenesulfonate
RN: 18520-36-0
InChIKey: BUWWWPKHCPVONN-UMVVUDSKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H30-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 845.006
 
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Names and Synonyms

Synonyms

  • 6,6'-(Styrene-alpha,p-diylbis(carbonylimino))bis(1-ethylquinolinium) ditosylate
  • Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-ethyl-, ditosylate

Systematic Name

  • Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)cinnamamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-36-0

System Generated Number

  • 0018520360

Molecular Formulas

Molecular Formula

  • C32-H30-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H30-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H28N4O2.2C7H8O3S/c1-3-35-19-5-7-25-21-27(14-16-29(25)35)33-31(37)18-11-23-9-12-24(13-10-23)32(38)34-28-15-17-30-26(22-28)8-6-20-36(30)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/b18-11+;;

InChIKey

BUWWWPKHCPVONN-UMVVUDSKSA-N

Smiles

c1(S([O-])(=O)=O)ccc(C)cc1.[n+]1(cccc2cc(ccc12)NC(\C=C\c1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CC)=O)CC.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 9mg/kg (9mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.