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Substance Name: Ketone, beta-(p-chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl
RN: 23904-87-2
InChIKey: KBNOGJIHESRQCG-UHFFFAOYSA-N

Molecular Formula

  • C26-H27-Cl-N2-O

Molecular Weight

  • 418.965
 
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Names and Synonyms

Synonyms

  • 1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(o-tolyl)piperazine
  • beta-(p-Chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl ketone
  • Piperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(o-tolyl)-

Systematic Name

  • Ketone, beta-(p-chlorophenyl)phenethyl 4-(o-tolyl)piperazinyl

Registry Numbers

CAS Registry Number

  • 23904-87-2

System Generated Number

  • 0023904872

Structure Descriptors

InChI

1S/C26H27ClN2O/c1-20-7-5-6-10-25(20)28-15-17-29(18-16-28)26(30)19-24(21-8-3-2-4-9-21)22-11-13-23(27)14-12-22/h2-14,24H,15-19H2,1H3

InChIKey

KBNOGJIHESRQCG-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)CC(N2CCN(c3c(cccc3)C)CC2)=O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.