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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
RN: 68771-82-4
InChIKey: GCRMYGVPMPWCQI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H32-N8-O4.2C7-H7-O3-S

Molecular Weight

  • 959.0694
 
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Names and Synonyms

  • Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68771-82-4

System Generated Number

  • 0068771824

Molecular Formulas

Molecular Formula

  • C34-H32-N8-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H32-N8-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N8O4.2C7H8O3S/c1-41-15-3-5-25(19-41)38-33(45)23-11-14-30(29(36)17-23)40-32(44)22-9-7-21(8-10-22)31(43)37-24-12-13-27(28(35)18-24)34(46)39-26-6-4-16-42(2)20-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3,(H6-2,35,36,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

GCRMYGVPMPWCQI-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1cccc(c1)NC(=O)c2ccc(c(c2)N)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(c(c4)N)C(=O)Nc5ccc[n+](c5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 44mg/kg (44mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.