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Substance Name: 2-Buten-1-one, 1-phenyl-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
RN: 76691-04-8
InChIKey: JNBPYPPEXHHADE-JQIJEIRASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-F3-N2-O

Molecular Weight

  • 374.4039
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-buten-1-one
  • BRN 4564625

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76691-04-8

System Generated Number

  • 0076691048

Structure Descriptors

InChI

1S/C21H21F3N2O/c1-16(14-20(27)17-6-3-2-4-7-17)25-10-12-26(13-11-25)19-9-5-8-18(15-19)21(22,23)24/h2-9,14-15H,10-13H2,1H3/b16-14+

InChIKey

JNBPYPPEXHHADE-JQIJEIRASA-N

Smiles

C/C(=C\C(=O)c1ccccc1)/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.