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Substance Name: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 20719-20-4
InChIKey: MPOUEGRGIOXEIN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H38-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 929.127
 
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Names and Synonyms

  • Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-20-4

System Generated Number

  • 0020719204

Molecular Formulas

Molecular Formula

  • C36-H38-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H38-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H36N6O2.2C7H8O3S/c1-3-21-41-23-17-33(18-24-41)37-29-9-13-31(14-10-29)39-35(43)27-5-7-28(8-6-27)36(44)40-32-15-11-30(12-16-32)38-34-19-25-42(22-4-2)26-20-34;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3,(H2,39,40,43,44);2*2-5H,1H3,(H,8,9,10)

InChIKey

MPOUEGRGIOXEIN-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1(ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)CCC)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)CCC.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 4100ug/kg (4.1mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.