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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 68771-86-8
InChIKey: HWMGSMOTLVBSFZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C38-H40-N8-O4.2C7-H7-O3-S

Molecular Weight

  • 1015.1766
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68771-86-8

System Generated Number

  • 0068771868

Molecular Formulas

Molecular Formula

  • C38-H40-N8-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H40-N8-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H38N8O4.2C7H8O3S/c1-3-17-45-19-5-7-29(23-45)42-37(49)27-13-16-34(33(40)21-27)44-36(48)26-11-9-25(10-12-26)35(47)41-28-14-15-31(32(39)22-28)38(50)43-30-8-6-20-46(24-30)18-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-16,19-24H,3-4,17-18H2,1-2H3,(H6-2,39,40,41,42,43,44,47,48,49,50);2*2-5H,1H3,(H,8,9,10)

InChIKey

HWMGSMOTLVBSFZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.