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Substance Name: Penten-3-one, 5-(4-(m-methylbenzyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride
RN: 37151-44-3
InChIKey: RIGBEDNANJVICG-YEUQMBKVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O4.2Cl-H

Molecular Weight

  • 511.486
 
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Names and Synonyms

Synonym

  • Piperazine, 1-(m-methylbenzyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, dihydrochloride

Systematic Name

  • Penten-3-one, 5-(4-(m-methylbenzyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 37151-44-3

System Generated Number

  • 0037151443

Molecular Formulas

Molecular Formula

  • C26-H34-N2-O4.2Cl-H

Molecular Formula Fragments

  • C26-H34-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34N2O4.2ClH/c1-20-6-5-7-22(16-20)19-28-14-12-27(13-15-28)11-10-23(29)9-8-21-17-24(30-2)26(32-4)25(18-21)31-3;;/h5-9,16-18H,10-15,19H2,1-4H3;2*1H/b9-8+;;

InChIKey

RIGBEDNANJVICG-YEUQMBKVSA-N

Smiles

C(\c1cc(c(c(c1)OC)OC)OC)=C\C(CCN1CCN(CC1)Cc1cc(ccc1)C)=O.Cl.Cl

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.