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Substance Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,4,5-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride
RN: 120944-23-2
InChIKey: QSQBAPFBHDLMPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-Cl3-F-N3-O2.Cl-H

Molecular Weight

  • 507.218
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120944-23-2

System Generated Number

  • 0120944232

Molecular Formulas

Molecular Formula

  • C21-H19-Cl3-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C21-H19-Cl3-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19Cl3FN3O2.ClH/c22-15-11-17(24)18(12-16(15)23)28-9-7-27(8-10-28)6-5-19-20(26-21(29)30-19)13-1-3-14(25)4-2-13;/h1-4,11-12H,5-10H2,(H,26,29);1H

InChIKey

QSQBAPFBHDLMPF-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4cc(c(cc4Cl)Cl)Cl)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.