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Substance Name: 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
RN: 76691-09-3
InChIKey: ISLCZEPNQACFRU-QINSGFPZSA-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-(3-Fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-buten-1-one
  • BRN 4576616

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76691-09-3

System Generated Number

  • 0076691093

Structure Descriptors

InChI

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

InChIKey

ISLCZEPNQACFRU-QINSGFPZSA-N

Smiles

C(=C(/N1CCN(CC1)c1cc(C(F)(F)F)ccc1)C)\C(c1cc(F)ccc1)=O

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.