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Substance Name: Piperazinepropanol, 4-phenyl-, N-(7-chloro-4-quinolyl)anthranilate, dihydrochloride
RN: 69838-66-0
InChIKey: AGKWPJCXVMIWJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-Cl-N4-O2.2Cl-H

Molecular Weight

  • 573.9489
 
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Names and Synonyms

Synonyms

  • 3-(4-Phenyl-1-piperazinyl)propyl 2-((7-chloro-4-quinolyl)amino)benzoate dihydrochloride
  • 4-Phenylpiperazinepropanol o-(7-chloro-4-quinolylamino)benzoate dihydrochloride

Systematic Name

  • Piperazinepropanol, 4-phenyl-, N-(7-chloro-4-quinolyl)anthranilate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 69838-66-0

System Generated Number

  • 0069838660

Molecular Formulas

Molecular Formula

  • C29-H29-Cl-N4-O2.2Cl-H

Molecular Formula Fragments

  • C29-H29-Cl-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H29ClN4O2.2ClH/c30-22-11-12-24-27(13-14-31-28(24)21-22)32-26-10-5-4-9-25(26)29(35)36-20-6-15-33-16-18-34(19-17-33)23-7-2-1-3-8-23;;/h1-5,7-14,21H,6,15-20H2,(H,31,32);2*1H

InChIKey

AGKWPJCXVMIWJJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CCCOC(=O)c3ccccc3Nc4ccnc5c4ccc(c5)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.