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Substance Name: Benzoic acid, 2-((7-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
RN: 55300-30-6
InChIKey: GEZLWXYIFNEJBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H26-F6-N4-O2.2Cl-H

Molecular Weight

  • 661.4712
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55300-30-6

Related Registry Number

  • 55300-29-3 (Parent)

System Generated Number

  • 0055300306

Molecular Formulas

Molecular Formula

  • C30-H26-F6-N4-O2.2Cl-H

Molecular Formula Fragments

  • C30-H26-F6-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H26F6N4O2.2ClH/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27;;/h1-11,18-19H,12-17H2,(H,37,38);2*1H

InChIKey

GEZLWXYIFNEJBC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4017623,