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Substance Name: Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate
RN: 19060-40-3
InChIKey: MZEYBIUQJGCXGW-QLVZFOIYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C32-H34-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 925.135
 
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Names and Synonyms

  • Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19060-40-3

System Generated Number

  • 0019060403

Molecular Formulas

Molecular Formula

  • C32-H34-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H34-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H36N4O2.2C7H8O3S/c1-3-23-41-25-5-7-33(27-41)30-14-18-35(19-15-30)39-37(43)22-11-29-9-12-32(13-10-29)38(44)40-36-20-16-31(17-21-36)34-8-6-26-42(28-34)24-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22,25-28H,3-4,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/b22-11+;;

InChIKey

MZEYBIUQJGCXGW-QLVZFOIYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.