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Substance Name: Pyridinium, 3,3'-(isophthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
RN: 20719-39-5
InChIKey: SFPPNHQCJUGWMA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H30-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 929.04
 
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Names and Synonyms

  • Pyridinium, 3,3'-(isophthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-39-5

System Generated Number

  • 0020719395

Molecular Formulas

Molecular Formula

  • C34-H30-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H30-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H28N6O4.2C7H8O3S/c1-39-18-4-8-29(21-39)37-31(41)23-10-14-27(15-11-23)35-33(43)25-6-3-7-26(20-25)34(44)36-28-16-12-24(13-17-28)32(42)38-30-9-5-19-40(2)22-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H2-2,35,36,37,38,41,42,43,44);2*2-5H,1H3,(H,8,9,10)

InChIKey

SFPPNHQCJUGWMA-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1(cc(ccc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)C)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)C.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.