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Substance Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
RN: 120944-12-9
InChIKey: AFYJBMPSMJLSLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-F4-N3-O2

Molecular Weight

  • 435.4189
 
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Names and Synonyms

Synonyms

  • 4-(4-Fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone
  • BRN 6545465

Systematic Name

  • 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 120944-12-9

System Generated Number

  • 0120944129

Structure Descriptors

InChI

1S/C22H21F4N3O2/c23-17-6-4-15(5-7-17)20-19(31-21(30)27-20)8-9-28-10-12-29(13-11-28)18-3-1-2-16(14-18)22(24,25)26/h1-7,14H,8-13H2,(H,27,30)

InChIKey

AFYJBMPSMJLSLL-UHFFFAOYSA-N

Smiles

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

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.