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Substance Name: 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperazinyl)-
RN: 76691-14-0
InChIKey: DRXUFBJIDRCRHH-PFONDFGASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-F2-N2-O

Molecular Weight

  • 342.387
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperazinyl)-2-buten-1-one
  • BRN 4557201

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76691-14-0

System Generated Number

  • 0076691140

Structure Descriptors

InChI

1S/C20H20F2N2O/c1-15(14-20(25)16-2-4-17(21)5-3-16)23-10-12-24(13-11-23)19-8-6-18(22)7-9-19/h2-9,14H,10-13H2,1H3/b15-14-

InChIKey

DRXUFBJIDRCRHH-PFONDFGASA-N

Smiles

C(=C(/N1CCN(c2ccc(cc2)F)CC1)C)\C(c1ccc(F)cc1)=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.