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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
RN: 19142-71-3
InChIKey: KPWPTHQHLIBRLH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H28-Cl2-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 997.93
 
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Names and Synonyms

  • Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19142-71-3

System Generated Number

  • 0019142713

Molecular Formulas

Molecular Formula

  • C34-H28-Cl2-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H28-Cl2-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H26Cl2N6O4.2C7H8O3S/c1-41-15-3-5-25(19-41)37-33(45)23-11-13-29(27(35)17-23)39-31(43)21-7-9-22(10-8-21)32(44)40-30-14-12-24(18-28(30)36)34(46)38-26-6-4-16-42(2)20-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3,(H2-2,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

KPWPTHQHLIBRLH-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1c(cc(cc1)C(=O)Nc1c[n+](ccc1)C)Cl)C(=O)Nc1c(cc(cc1)C(=O)Nc1c[n+](ccc1)C)Cl.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 26mg/kg (26mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.