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Substance Name: Pyridinium, 1-ethyl-3-(p-(p-((p-(1-ethylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-,di-p-toluenesulfonate
RN: 20302-25-4
InChIKey: FNNVPRXVWBTQCQ-QLVZFOIYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H34-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 897.081
 
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Names and Synonyms

Synonym

  • NSC 100595

Systematic Names

  • Pyridinium, 1-ethyl-3-(4-((3-(4-(((4-(1-ethylpyridinium-3-yl)phenyl)amino)carbonyl)phenyl)1-1oxo-2-propenyl)amino)phenyl)-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
  • Pyridinium, 1-ethyl-3-(p-(p-((p-(1-ethylpyridinium-3-yl)phenyl)carbamoyl)cinnamaido)phenyl)-, di-p-tolunesulfonate (8CI)
  • Pyridinium, 1-ethyl-3-(p-(p-((p-(1-ethylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-,di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20302-25-4

System Generated Number

  • 0020302254

Molecular Formulas

Molecular Formula

  • C36-H34-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H34-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H32N4O2.2C7H8O3S/c1-3-39-23-5-7-31(25-39)28-14-18-33(19-15-28)37-35(41)22-11-27-9-12-30(13-10-27)36(42)38-34-20-16-29(17-21-34)32-8-6-24-40(4-2)26-32;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-26H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/b22-11+;;

InChIKey

FNNVPRXVWBTQCQ-QLVZFOIYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1c(ccc[n+]1CC)c1ccc(cc1)NC(\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)CC)=O.c1(S([O-])(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.