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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonate
RN: 14796-58-8
InChIKey: ICNMZPHIHSPXOW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H32-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 871.043
 
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Names and Synonyms

Synonyms

  • 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-ethylpyridinium) di-p-toluenesulfonate
  • 3,3'-(Terephthaloyldiiminobis(p-phenylene))bis(1-ethylpyridinium ) di-p-toluenesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14796-58-8

System Generated Number

  • 0014796588

Molecular Formulas

Molecular Formula

  • C34-H32-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H32-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N4O2.2C7H8O3S/c1-3-37-21-5-7-29(23-37)25-13-17-31(18-14-25)35-33(39)27-9-11-28(12-10-27)34(40)36-32-19-15-26(16-20-32)30-8-6-22-38(4-2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

ICNMZPHIHSPXOW-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)CC)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)CC.c1(S(=O)(=O)[O-])ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 43mg/kg (43mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.