Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate
RN: 18520-50-8
InChIKey: XJVRJRZPYGBBFW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H36-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 899.097
 
* 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

Synonym

  • 2,2'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate

Systematic Name

  • Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-50-8

System Generated Number

  • 0018520508

Molecular Formulas

Molecular Formula

  • C36-H36-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H36-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H34N4O2.2C7H8O3S/c1-3-23-39-25-7-5-9-33(39)27-15-19-31(20-16-27)37-35(41)29-11-13-30(14-12-29)36(42)38-32-21-17-28(18-22-32)34-10-6-8-26-40(34)24-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22,25-26H,3-4,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

XJVRJRZPYGBBFW-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1cccc[n+]1CCC)C(=O)Nc1ccc(cc1)c1cccc[n+]1CCC.c1(S([O-])(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 11mg/kg (11mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.