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Substance Name: 2(3H)-Oxazolone, 5-(2-(4-(2,5-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride
RN: 120944-16-3
InChIKey: OMRWMXOCTFPZCA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-Cl2-F-N3-O2.Cl-H

Molecular Weight

  • 472.7729
 
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Names and Synonyms

Synonym

  • 5-(2-(4-(2,5-Dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-2(3H)-oxazolone HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120944-16-3

System Generated Number

  • 0120944163

Molecular Formulas

Molecular Formula

  • C21-H20-Cl2-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C21-H20-Cl2-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H20Cl2FN3O2.ClH/c22-15-3-6-17(23)18(13-15)27-11-9-26(10-12-27)8-7-19-20(25-21(28)29-19)14-1-4-16(24)5-2-14;/h1-6,13H,7-12H2,(H,25,28);1H

InChIKey

OMRWMXOCTFPZCA-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4cc(ccc4Cl)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.