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Substance Name: Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, N-(7-chloro-4-quinolyl)anthranilate, dihydrochloride
RN: 55366-85-3
InChIKey: ZXJQMWJWOCMOSR-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

Synonym

  • 4-(3-Trifluoromethyl)phenylpiperazineethanol o-(7-chloro-4-quinolylamino)benzoate 2HCl

Systematic Name

  • Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, N-(7-chloro-4-quinolyl)anthranilate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 55366-85-3

System Generated Number

  • 0055366853

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

InChIKey

ZXJQMWJWOCMOSR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.