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Substance Name: Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 19142-70-2
InChIKey: AJHUDNUETNFGEV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C38-H39-N7-O4.2C7-H7-O3-S

Molecular Weight

  • 1000.16
 
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Names and Synonyms

  • Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19142-70-2

System Generated Number

  • 0019142702

Molecular Formulas

Molecular Formula

  • C38-H39-N7-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H39-N7-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H37N7O4.2C7H8O3S/c1-3-19-44-21-5-7-31(24-44)42-35(46)26-9-14-29(15-10-26)40-37(48)28-13-18-33(34(39)23-28)38(49)41-30-16-11-27(12-17-30)36(47)43-32-8-6-22-45(25-32)20-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-18,21-25H,3-4,19-20H2,1-2H3,(H4-2,39,40,41,42,43,46,47,48,49);2*2-5H,1H3,(H,8,9,10)

InChIKey

AJHUDNUETNFGEV-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(c(cc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)CCC)N)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)CCC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 47mg/kg (47mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.