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Substance Name: Benzoic acid, 2-((7-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride
RN: 55300-37-3
InChIKey: CTVKJIWPVBOVQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-Cl-F3-N4-O2.2Cl-H

Molecular Weight

  • 627.9192
 
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Names and Synonyms

  • Benzoic acid, 2-((7-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 55300-37-3

System Generated Number

  • 0055300373

Molecular Formulas

Molecular Formula

  • C29-H26-Cl-F3-N4-O2.2Cl-H

Molecular Formula Fragments

  • C29-H26-Cl-F3-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H26ClF3N4O2.2ClH/c30-21-4-3-5-22(19-21)37-14-12-36(13-15-37)16-17-39-28(38)24-6-1-2-7-25(24)35-26-10-11-34-27-18-20(29(31,32)33)8-9-23(26)27;;/h1-11,18-19H,12-17H2,(H,34,35);2*1H

InChIKey

CTVKJIWPVBOVQB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)Cl)Nc4ccnc5c4ccc(c5)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.