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Substance Name: 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
RN: 76691-11-7
InChIKey: CNEAPGJQVJRXDX-FYWRMAATSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-F4-N2-O

Molecular Weight

  • 392.394
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-buten-1-one
  • BRN 4576620

Systematic Name

  • 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 76691-11-7

System Generated Number

  • 0076691117

Structure Descriptors

InChI

1S/C21H20F4N2O/c1-15(13-20(28)16-5-7-18(22)8-6-16)26-9-11-27(12-10-26)19-4-2-3-17(14-19)21(23,24)25/h2-8,13-14H,9-12H2,1H3/b15-13+

InChIKey

CNEAPGJQVJRXDX-FYWRMAATSA-N

Smiles

C/C(=C\C(=O)c1ccc(cc1)F)/N2CCN(CC2)c3cccc(c3)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 19, Pg. 695, 1980.