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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 16758-32-0
InChIKey: FQLQJYUHRZZEMZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C38-H38-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 985.147
 
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Names and Synonyms

  • Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 16758-32-0

System Generated Number

  • 0016758320

Molecular Formulas

Molecular Formula

  • C38-H38-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H38-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H36N6O4.2C7H8O3S/c1-3-21-43-23-5-7-33(25-43)41-37(47)29-13-17-31(18-14-29)39-35(45)27-9-11-28(12-10-27)36(46)40-32-19-15-30(16-20-32)38(48)42-34-8-6-24-44(26-34)22-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,9,10)

InChIKey

FQLQJYUHRZZEMZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.