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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
RN: 16758-31-9
InChIKey: NRNIPYGUEMLNRX-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'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 16758-31-9

System Generated Number

  • 0016758319

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/c1-39-19-3-5-29(21-39)37-33(43)25-11-15-27(16-12-25)35-31(41)23-7-9-24(10-8-23)32(42)36-28-17-13-26(14-18-28)34(44)38-30-6-4-20-40(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

NRNIPYGUEMLNRX-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1(ccc(cc1)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 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.