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Substance Name: 2(3H)-Oxazolone, 5-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride
RN: 120944-20-9
InChIKey: KYOYJSKPZXQJEO-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

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120944-20-9

System Generated Number

  • 0120944209

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

InChIKey

KYOYJSKPZXQJEO-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCc3c([nH]c(=O)o3)c4ccc(cc4)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2241, 1989.