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Substance Name: 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
RN: 69838-64-8
InChIKey: OYDDMJPKHBXIRJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-Cl-F3-N4-O2.2Cl-H

Molecular Weight

  • 591.8862
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 69838-64-8

System Generated Number

  • 0069838648

Molecular Formulas

Molecular Formula

  • C26-H26-Cl-F3-N4-O2.2Cl-H

Molecular Formula Fragments

  • C26-H26-Cl-F3-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26ClF3N4O2.2ClH/c1-18-22(27)8-3-9-23(18)32-24-21(7-4-10-31-24)25(35)36-16-15-33-11-13-34(14-12-33)20-6-2-5-19(17-20)26(28,29)30;;/h2-10,17H,11-16H2,1H3,(H,31,32);2*1H

InChIKey

OYDDMJPKHBXIRJ-UHFFFAOYSA-N

Smiles

Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)OCCN3CCN(CC3)c4cccc(c4)C(F)(F)F.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.