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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 19083-82-0
InChIKey: OUUIGONKYNWDPT-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C40-H42-N6-O6.2C7-H7-O3-S

Molecular Weight

  • 1045.2
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 19083-82-0

System Generated Number

  • 0019083820

Molecular Formulas

Molecular Formula

  • C40-H42-N6-O6.2C7-H7-O3-S

Molecular Formula Fragments

  • C40-H42-N6-O6
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C40H40N6O6.2C7H8O3S/c1-5-19-45-21-7-9-31(25-45)41-39(49)29-15-17-33(35(23-29)51-3)43-37(47)27-11-13-28(14-12-27)38(48)44-34-18-16-30(24-36(34)52-4)40(50)42-32-10-8-22-46(26-32)20-6-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18,21-26H,5-6,19-20H2,1-4H3,(H2-2,41,42,43,44,47,48,49,50);2*2-5H,1H3,(H,8,9,10)

InChIKey

OUUIGONKYNWDPT-UHFFFAOYSA-N

Smiles

c1(S([O-])(=O)=O)ccc(C)cc1.c1(ccc(cc1)C(=O)Nc1c(cc(cc1)C(=O)Nc1c[n+](ccc1)CCC)OC)C(=O)Nc1c(cc(cc1)C(=O)Nc1c[n+](ccc1)CCC)OC.c1(ccc(C)cc1)S(=O)(=O)[O-]

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.