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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
RN: 19083-87-5
InChIKey: KVIFFZQKJAJOQB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H34-N6-O6.2C7-H7-O3-S

Molecular Weight

  • 989.091
 
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Names and Synonyms

  • Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19083-87-5

System Generated Number

  • 0019083875

Molecular Formulas

Molecular Formula

  • C36-H34-N6-O6.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H34-N6-O6
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H32N6O6.2C7H8O3S/c1-41-17-5-7-27(21-41)39-35(45)29-15-13-25(19-31(29)47-3)37-33(43)23-9-11-24(12-10-23)34(44)38-26-14-16-30(32(20-26)48-4)36(46)40-28-8-6-18-42(2)22-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,1-4H3,(H2-2,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

KVIFFZQKJAJOQB-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].C(c1ccc(C(=O)Nc2cc(c(cc2)C(=O)Nc2c[n+](ccc2)C)OC)cc1)(=O)Nc1cc(c(cc1)C(=O)Nc1c[n+](ccc1)C)OC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 41mg/kg (41mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.