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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-, monohydrochloride
RN: 95217-21-3
InChIKey: KVYQRVVKNVWOJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-F-N2-O2.Cl-H

Molecular Weight

  • 378.8726
 
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Names and Synonyms

Synonym

  • 1-(4-Fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone hydrochloride

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 95217-21-3

System Generated Number

  • 0095217213

Molecular Formulas

Molecular Formula

  • C20-H23-F-N2-O2.Cl-H

Molecular Formula Fragments

  • C20-H23-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23FN2O2.ClH/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18;/h1-9,19,24H,10-15H2;1H

InChIKey

KVYQRVVKNVWOJB-UHFFFAOYSA-N

Smiles

C([C@@H](CCN1CCN(CC1)c1ccccc1)O)(=O)c1ccc(cc1)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.