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Substance Name: 4(1H)-Pyrimidinone, 2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, dihydrochloride
RN: 21162-92-5
InChIKey: LXEJTAGVLWPEMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-N4-O.2Cl-H

Molecular Weight

  • 523.505
 
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Names and Synonyms

Synonyms

  • 1-(3,3,3-Triphenylpropyl)-4-(4-hydroxy-2-pyrimidyl)piperazine dihydrochloride
  • 2-(4-(3,3,3-Triphenylpropyl)-1-piperazinyl)-4(1H)-pyrimidinone dihydrochloride

Systematic Name

  • 4(1H)-Pyrimidinone, 2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 21162-92-5

System Generated Number

  • 0021162925

Molecular Formulas

Molecular Formula

  • C29-H30-N4-O.2Cl-H

Molecular Formula Fragments

  • C29-H30-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30N4O.2ClH/c34-27-16-18-30-28(31-27)33-22-20-32(21-23-33)19-17-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;;/h1-16,18H,17,19-23H2,(H,30,31,34);2*1H

InChIKey

LXEJTAGVLWPEMP-UHFFFAOYSA-N

Smiles

c1([nH]ccc(=O)n1)N1CCN(CC1)CCC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 295, 1972.