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Substance Name: Pyridinium, 4,4'-(terephthaloylbis(imino-(p-phenyleneimino)))bis(1-ethyl-, di-p-toluenesulfonate
RN: 20719-19-1
InChIKey: HFSZXZVPMNBUCF-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H34-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 901.073
 
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Names and Synonyms

Synonym

  • NSC 125032

Systematic Name

  • Pyridinium, 4,4'-(terephthaloylbis(imino-(p-phenyleneimino)))bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-19-1

System Generated Number

  • 0020719191

Molecular Formulas

Molecular Formula

  • C34-H34-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H34-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H32N6O2.2C7H8O3S/c1-3-39-21-17-31(18-22-39)35-27-9-13-29(14-10-27)37-33(41)25-5-7-26(8-6-25)34(42)38-30-15-11-28(12-16-30)36-32-19-23-40(4-2)24-20-32;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3,(H2,37,38,41,42);2*2-5H,1H3,(H,8,9,10)

InChIKey

HFSZXZVPMNBUCF-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)CC)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)CC.c1(S([O-])(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 2500ug/kg (2.5mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.