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Substance Name: Pyridinium, 3-(2-amino-4-(3-amino-4-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, di-p-toluenesulfonate
RN: 68771-80-2
InChIKey: IHKSCIHTUWKDMH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C34-H32-N8-O4.2C7-H7-O3-S

Molecular Weight

  • 959.0694
 
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Names and Synonyms

  • Pyridinium, 3-(2-amino-4-(3-amino-4-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68771-80-2

System Generated Number

  • 0068771802

Molecular Formulas

Molecular Formula

  • C34-H32-N8-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H32-N8-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N8O4.2C7H8O3S/c1-41-15-3-5-25(19-41)39-31(43)21-7-10-23(11-8-21)37-33(45)27-13-9-22(17-29(27)35)32(44)38-24-12-14-28(30(36)18-24)34(46)40-26-6-4-16-42(2)20-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3,(H6-2,35,36,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

IHKSCIHTUWKDMH-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3N)C(=O)Nc4ccc(c(c4)N)C(=O)Nc5ccc[n+](c5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 9mg/kg (9mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.