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Substance Name: Pyridinium, 3,3'-(2-methylterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate
RN: 16760-23-9
InChIKey: NKGQYUUHPUXQAL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C39-H40-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 999.174
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 16760-23-9

System Generated Number

  • 0016760239

Molecular Formulas

Molecular Formula

  • C39-H40-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C39-H40-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C39H38N6O4.2C7H8O3S/c1-4-20-44-22-6-8-33(25-44)42-36(46)28-10-15-31(16-11-28)40-38(48)30-14-19-35(27(3)24-30)39(49)41-32-17-12-29(13-18-32)37(47)43-34-9-7-23-45(26-34)21-5-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h6-19,22-26H,4-5,20-21H2,1-3H3,(H2-2,40,41,42,43,46,47,48,49);2*2-5H,1H3,(H,8,9,10)

InChIKey

NKGQYUUHPUXQAL-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)C)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 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.