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Substance Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride
RN: 120944-22-1
InChIKey: JAAGPFRXJOVXHN-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-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120944-22-1

System Generated Number

  • 0120944221

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

InChIKey

JAAGPFRXJOVXHN-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4ccc(c(c4Cl)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.