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Substance Name: Penten-3-one, 5-(4-(o-tolyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
RN: 37151-49-8
InChIKey: BWYOJTILHQWIRQ-RRABGKBLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2-O4.Cl-H

Molecular Weight

  • 460.999
 
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Names and Synonyms

Synonym

  • Piperazine, 1-o-tolyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride

Systematic Name

  • Penten-3-one, 5-(4-(o-tolyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37151-49-8

System Generated Number

  • 0037151498

Molecular Formulas

Molecular Formula

  • C25-H32-N2-O4.Cl-H

Molecular Formula Fragments

  • C25-H32-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32N2O4.ClH/c1-19-7-5-6-8-22(19)27-15-13-26(14-16-27)12-11-21(28)10-9-20-17-23(29-2)25(31-4)24(18-20)30-3;/h5-10,17-18H,11-16H2,1-4H3;1H/b10-9+;

InChIKey

BWYOJTILHQWIRQ-RRABGKBLSA-N

Smiles

C(=C\C(CCN1CCN(CC1)c1c(cccc1)C)=O)\c1cc(c(c(c1)OC)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 417, 1972.