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Substance Name: Pyridinium, 3,3'-(2-chloroterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
RN: 16802-50-9
InChIKey: WISYIKNGAZTPSC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H33-Cl-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 991.538
 
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Names and Synonyms

  • Pyridinium, 3,3'-(2-chloroterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 16802-50-9

System Generated Number

  • 0016802509

Molecular Formulas

Molecular Formula

  • C36-H33-Cl-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H33-Cl-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H31ClN6O4.2C7H8O3S/c1-3-42-19-5-7-29(22-42)40-33(44)24-9-14-27(15-10-24)38-35(46)26-13-18-31(32(37)21-26)36(47)39-28-16-11-25(12-17-28)34(45)41-30-8-6-20-43(4-2)23-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-23H,3-4H2,1-2H3,(H2-2,38,39,40,41,44,45,46,47);2*2-5H,1H3,(H,8,9,10)

InChIKey

WISYIKNGAZTPSC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 29mg/kg (29mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.