Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Penten-3-one, 5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
RN: 37151-51-2
InChIKey: HPRYBDMNZMRAKJ-IPZCTEOASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O4.Cl-H

Molecular Weight

  • 448.948
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Piperazine, 1-(2-pyrimidyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride
  • Pyrimidine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, hydrochloride

Systematic Name

  • Penten-3-one, 5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37151-51-2

System Generated Number

  • 0037151512

Molecular Formulas

Molecular Formula

  • C22-H28-N4-O4.Cl-H

Molecular Formula Fragments

  • C22-H28-N4-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N4O4.ClH/c1-28-19-15-17(16-20(29-2)21(19)30-3)5-6-18(27)7-10-25-11-13-26(14-12-25)22-23-8-4-9-24-22;/h4-6,8-9,15-16H,7,10-14H2,1-3H3;1H/b6-5+;

InChIKey

HPRYBDMNZMRAKJ-IPZCTEOASA-N

Smiles

C(=C\C(CCN1CCN(CC1)c1ncccn1)=O)\c1cc(c(c(c1)OC)OC)OC.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.