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Substance Name: Penten-3-one, 5-(4-(p-fluorophenylpiperazinyl))-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate
RN: 64011-50-3
InChIKey: RQBBJSWBKDLENV-HPJBNNNXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-F-N2-O4.Cl-H.H2-O

Molecular Weight

  • 482.977
 
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Names and Synonyms

Synonym

  • Piperazine, 1-p-fluorophenyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride, hydrate

Systematic Name

  • Penten-3-one, 5-(4-(p-fluorophenylpiperazinyl))-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 64011-50-3

System Generated Number

  • 0064011503

Molecular Formulas

Molecular Formula

  • C24-H29-F-N2-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C24-H29-F-N2-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H29FN2O4.ClH.H2O/c1-29-22-16-18(17-23(30-2)24(22)31-3)4-9-21(28)10-11-26-12-14-27(15-13-26)20-7-5-19(25)6-8-20;;/h4-9,16-17H,10-15H2,1-3H3;1H;1H2/b9-4+;;

InChIKey

RQBBJSWBKDLENV-HPJBNNNXSA-N

Smiles

N1(c2ccc(cc2)F)CCN(CC1)CCC(\C=C\c1cc(OC)c(c(c1)OC)OC)=O.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 417, 1972.