Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 1-methyl-3-(p-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 68797-91-1
InChIKey: AFXCHIIASYJKRN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C33-H30-N6-O3.2C7-H7-O3-S

Molecular Weight

  • 901.0296
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68797-91-1

System Generated Number

  • 0068797911

Molecular Formulas

Molecular Formula

  • C33-H30-N6-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H30-N6-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H28N6O3.2C7H8O3S/c1-38-20-17-29(18-21-38)34-26-13-15-28(16-14-26)36-32(41)24-7-5-23(6-8-24)31(40)35-27-11-9-25(10-12-27)33(42)37-30-4-3-19-39(2)22-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H2-,35,36,37,40,41,42);2*2-5H,1H3,(H,8,9,10)

InChIKey

AFXCHIIASYJKRN-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)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.