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Substance Name: 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
RN: 120944-29-8
InChIKey: HADGFMGOCYXQPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3-O2-S.Cl-H

Molecular Weight

  • 431.9854
 
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Names and Synonyms

Synonym

  • 4-(4-(Methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone hydrochloride

Systematic Name

  • 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 120944-29-8

System Generated Number

  • 0120944298

Molecular Formulas

Molecular Formula

  • C22-H25-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C22-H25-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25N3O2S.ClH/c1-28-19-9-7-17(8-10-19)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)18-5-3-2-4-6-18;/h2-10H,11-16H2,1H3,(H,23,26);1H

InChIKey

HADGFMGOCYXQPD-UHFFFAOYSA-N

Smiles

CSc1ccc(cc1)c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2241, 1989.