Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride
RN: 69838-63-7
InChIKey: FGGJJTAVPOTOOH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-Cl-F3-N4-O2-S.2Cl-H

Molecular Weight

  • 609.9254
 
* 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

  • 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 69838-63-7

System Generated Number

  • 0069838637

Molecular Formulas

Molecular Formula

  • C25-H24-Cl-F3-N4-O2-S.2Cl-H

Molecular Formula Fragments

  • C25-H24-Cl-F3-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H24ClF3N4O2S.2ClH/c26-18-4-1-6-20(16-18)33-12-10-32(11-13-33)14-15-35-24(34)22-8-3-9-30-23(22)31-19-5-2-7-21(17-19)36-25(27,28)29;;/h1-9,16-17H,10-15H2,(H,30,31);2*1H

InChIKey

FGGJJTAVPOTOOH-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)SC(F)(F)F)Nc2c(cccn2)C(=O)OCCN3CCN(CC3)c4cccc(c4)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.