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Substance Name: 2-Propen-1-one, 3-(4-fluorophenyl)-1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-,(+-)-
RN: 36115-53-4
InChIKey: GQFLEEUXOBWBEM-OVCLIPMQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-F-N2-O3

Molecular Weight

  • 460.546
 
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Names and Synonyms

Synonyms

  • 5-23-02-00115 (Beilstein Handbook Reference)
  • BRN 0590656
  • DL-3-(4-Fluorophenyl)-1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-2-propen-1-one

Systematic Name

  • 2-Propen-1-one, 3-(4-fluorophenyl)-1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-,(+-)-

Registry Numbers

CAS Registry Number

  • 36115-53-4

System Generated Number

  • 0036115534

Structure Descriptors

InChI

1S/C28H29FN2O3/c29-24-11-6-22(7-12-24)8-15-28(33)23-9-13-27(14-10-23)34-21-26(32)20-30-16-18-31(19-17-30)25-4-2-1-3-5-25/h1-15,26,32H,16-21H2/b15-8+

InChIKey

GQFLEEUXOBWBEM-OVCLIPMQSA-N

Smiles

C(\C=C\c1ccc(cc1)F)(=O)c1ccc(cc1)OC[C@@H](CN1CCN(CC1)c1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.