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Substance Name: Penten-3-one, 5-(4-phenylpiperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate
RN: 64011-41-2
InChIKey: ROTHJTLQTAIBOO-TTWKNDKESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O4.Cl-H.H2-O

Molecular Weight

  • 464.987
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64011-41-2

System Generated Number

  • 0064011412

Molecular Formulas

Molecular Formula

  • C24-H30-N2-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C24-H30-N2-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H30N2O4.ClH.H2O/c1-28-22-17-19(18-23(29-2)24(22)30-3)9-10-21(27)11-12-25-13-15-26(16-14-25)20-7-5-4-6-8-20;;/h4-10,17-18H,11-16H2,1-3H3;1H;1H2/b10-9+;;

InChIKey

ROTHJTLQTAIBOO-TTWKNDKESA-N

Smiles

c1(c(cc(\C=C\C(CCN2CCN(CC2)c2ccccc2)=O)cc1OC)OC)OC.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 417, 1972.