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Substance Name: Pyridinium, 1-ethyl-3-(p-(p-((1-ethylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 19147-01-4
InChIKey: HDTVHVLHVUJBAJ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H29-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 837.971
 
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Names and Synonyms

  • Pyridinium, 1-ethyl-3-(p-(p-((1-ethylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19147-01-4

System Generated Number

  • 0019147014

Molecular Formulas

Molecular Formula

  • C29-H29-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C29-H29-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H27N5O3.2C7H8O3S/c1-3-33-17-5-7-25(19-33)31-28(36)22-11-9-21(10-12-22)27(35)30-24-15-13-23(14-16-24)29(37)32-26-8-6-18-34(4-2)20-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,3-4H2,1-2H3,(H-2,30,31,32,35,36,37);2*2-5H,1H3,(H,8,9,10)

InChIKey

HDTVHVLHVUJBAJ-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1c(ccc[n+]1CC)NC(c1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1c[n+](ccc1)CC)=O)=O.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 8mg/kg (8mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.