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Substance Name: 2(3H)-Oxazolone, 3-benzoyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
RN: 52868-06-1
InChIKey: USVXHTUTOBTFHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-F-N3-O3.Cl-H

Molecular Weight

  • 507.9903
 
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Names and Synonyms

Synonym

  • 3-Benzoyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl

Systematic Name

  • 2(3H)-Oxazolone, 3-benzoyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 52868-06-1

System Generated Number

  • 0052868061

Molecular Formulas

Molecular Formula

  • C28-H26-F-N3-O3.Cl-H

Molecular Formula Fragments

  • C28-H26-F-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H26FN3O3.ClH/c29-23-13-11-21(12-14-23)26-25(35-28(34)32(26)27(33)22-7-3-1-4-8-22)15-16-30-17-19-31(20-18-30)24-9-5-2-6-10-24;/h1-14H,15-20H2;1H

InChIKey

USVXHTUTOBTFHQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)n2c(c(oc2=O)CCN3CCN(CC3)c4ccccc4)c5ccc(cc5)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2241, 1989.