Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 1-methyl-3-(p-(p-((p-(1-methylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate
RN: 19060-39-0
InChIKey: QOERDSHBUXOCRX-ZVLLBXMWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H30-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 869.028
 
* 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-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19060-39-0

System Generated Number

  • 0019060390

Molecular Formulas

Molecular Formula

  • C34-H30-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H30-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H28N4O2.2C7H8O3S/c1-37-21-3-5-29(23-37)26-12-16-31(17-13-26)35-33(39)20-9-25-7-10-28(11-8-25)34(40)36-32-18-14-27(15-19-32)30-6-4-22-38(2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-24H,1-2H3;2*2-5H,1H3,(H,8,9,10)/b20-9+;;

InChIKey

QOERDSHBUXOCRX-ZVLLBXMWSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1c(ccc[n+]1C)c1ccc(cc1)NC(\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)C)=O.c1(S(=O)(=O)[O-])ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.