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Substance Name: 2-Propen-1-one, 3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-
RN: 76691-18-4
InChIKey: VGSDFSCLAWDOAH-OBGWFSINSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-F-N2-O

Molecular Weight

  • 352.451
 
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Names and Synonyms

Synonyms

  • 3-(4-(3,4-Dimethylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-2-propen-1-one
  • BRN 4551834
  • NSC 131369

Systematic Name

  • 2-Propen-1-one, 3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 76691-18-4

System Generated Number

  • 0076691184

Structure Descriptors

InChI

1S/C22H25FN2O/c1-16-4-9-21(14-17(16)2)25-12-10-24(11-13-25)15-18(3)22(26)19-5-7-20(23)8-6-19/h4-9,14-15H,10-13H2,1-3H3/b18-15+

InChIKey

VGSDFSCLAWDOAH-OBGWFSINSA-N

Smiles

C(=C\N1CCN(CC1)c1cc(C)c(cc1)C)(\C(c1ccc(cc1)F)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 19, Pg. 695, 1980.