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Substance Name: Penten-3-one, 5-(4-(2-pyridyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride
RN: 37151-50-1
InChIKey: URGQKRKYPFAIGP-MIIBGCIDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O4.2Cl-H

Molecular Weight

  • 484.421
 
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Names and Synonyms

Synonyms

  • Piperazine, 1-(2-pyridyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, dihydrochloride
  • Pyridine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, dihydrochloride

Systematic Name

  • Penten-3-one, 5-(4-(2-pyridyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 37151-50-1

System Generated Number

  • 0037151501

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O4.2Cl-H

Molecular Formula Fragments

  • C23-H29-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O4.2ClH/c1-28-20-16-18(17-21(29-2)23(20)30-3)7-8-19(27)9-11-25-12-14-26(15-13-25)22-6-4-5-10-24-22;;/h4-8,10,16-17H,9,11-15H2,1-3H3;2*1H/b8-7+;;

InChIKey

URGQKRKYPFAIGP-MIIBGCIDSA-N

Smiles

C(\c1cc(c(c(c1)OC)OC)OC)=C\C(CCN1CCN(CC1)c1ccccn1)=O.Cl.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.