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Substance Name: Pyridinium, 4,4'-(p-phenylenebis(acryloylimino-p-phenyleneimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 102584-20-3
InChIKey: WGVGNTKFTAKZLE-OCMVVAPRSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C40-H42-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 981.2024
 
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Names and Synonyms

  • Pyridinium, 4,4'-(p-phenylenebis(acryloylimino-p-phenyleneimino))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 102584-20-3

System Generated Number

  • 0102584203

Molecular Formulas

Molecular Formula

  • C40-H42-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C40-H42-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C40H40N6O2.2C7H8O3S/c1-3-25-45-27-21-37(22-28-45)41-33-11-15-35(16-12-33)43-39(47)19-9-31-5-7-32(8-6-31)10-20-40(48)44-36-17-13-34(14-18-36)42-38-23-29-46(26-4-2)30-24-38;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24,27-30H,3-4,25-26H2,1-2H3,(H2,43,44,47,48);2*2-5H,1H3,(H,8,9,10)/b19-9+,20-10+;;

InChIKey

WGVGNTKFTAKZLE-OCMVVAPRSA-N

Smiles

CCC[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)/C=C/c3ccc(cc3)/C=C/C(=O)Nc4ccc(cc4)Nc5cc[n+](cc5)CCC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.