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Substance Name: Pyridinium, 1-methyl-4-(p-(p-((p-(1-methylpyridinium-4-yl)phenyl)2-triazeno)benzamido)phenyl)-, di-p-toluenesulfonate
RN: 68771-98-2
InChIKey: CGGOYZQJBOZLLB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H28-N6-O.2C7-H7-O3-S

Molecular Weight

  • 842.9938
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68771-98-2

System Generated Number

  • 0068771982

Molecular Formulas

Molecular Formula

  • C31-H28-N6-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C31-H28-N6-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H26N6O.2C7H8O3S/c1-36-19-15-25(16-20-36)23-3-9-28(10-4-23)32-31(38)27-7-13-30(14-8-27)34-35-33-29-11-5-24(6-12-29)26-17-21-37(2)22-18-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

CGGOYZQJBOZLLB-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1ccc(cc1)c2ccc(cc2)NC(=O)c3ccc(cc3)N/N=N/c4ccc(cc4)c5cc[n+](cc5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.