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Substance Name: Piperazine, 1-(3-(4-chlorophenyl)-2-methyl-1-oxo-2-propenyl)-4-(3-(trifluoromethyl)phenyl)-
RN: 76691-22-0
InChIKey: QHWVNHVWSCWDJM-FYWRMAATSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-Cl-F3-N2-O

Molecular Weight

  • 408.849
 
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Names and Synonyms

Synonyms

  • 1-(3-(4-Chlorophenyl)-2-methyl-1-oxo-2-propenyl)-4-(3-(trifluoromethyl)phenyl)piperazine
  • BRN 4576634

Systematic Name

  • Piperazine, 1-(3-(4-chlorophenyl)-2-methyl-1-oxo-2-propenyl)-4-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 76691-22-0

System Generated Number

  • 0076691220

Structure Descriptors

InChI

1S/C21H20ClF3N2O/c1-15(13-16-5-7-18(22)8-6-16)20(28)27-11-9-26(10-12-27)19-4-2-3-17(14-19)21(23,24)25/h2-8,13-14H,9-12H2,1H3/b15-13+

InChIKey

QHWVNHVWSCWDJM-FYWRMAATSA-N

Smiles

C/C(=C\c1ccc(cc1)Cl)/C(=O)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.