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Substance Name: Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate
RN: 68771-70-0
InChIKey: NQKNHXZCCPULRJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C38-H32-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 979.0994
 
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Names and Synonyms

  • Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68771-70-0

System Generated Number

  • 0068771700

Molecular Formulas

Molecular Formula

  • C38-H32-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H32-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H30N6O4.2C7H8O3S/c1-43-21-5-7-29(23-43)41-35(45)25-11-15-27(16-12-25)39-37(47)33-19-20-34(32-10-4-3-9-31(32)33)38(48)40-28-17-13-26(14-18-28)36(46)42-30-8-6-22-44(2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-24H,1-2H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,9,10)

InChIKey

NQKNHXZCCPULRJ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(c4c3cccc4)C(=O)Nc5ccc(cc5)C(=O)Nc6ccc[n+](c6)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.