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Substance Name: 2(3H)-Oxazolone, 5-(2-(4-(3,5-dibromophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride
RN: 120944-21-0
InChIKey: OYEHRFAVLOLCLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-Br2-F-N3-O2.Cl-H

Molecular Weight

  • 561.6749
 
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Names and Synonyms

Synonyms

  • 4-(4-Fluorophenyl)-5-(2-(4-(3,5-dibromophenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl
  • RTECS RW9338000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120944-21-0

System Generated Number

  • 0120944210

Molecular Formulas

Molecular Formula

  • C21-H20-Br2-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C21-H20-Br2-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H20Br2FN3O2.ClH/c22-15-11-16(23)13-18(12-15)27-9-7-26(8-10-27)6-5-19-20(25-21(28)29-19)14-1-3-17(24)4-2-14;/h1-4,11-13H,5-10H2,(H,25,28);1H

InChIKey

OYEHRFAVLOLCLR-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4cc(cc(c4)Br)Br)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. 32, Pg. 2241, 1989.