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Substance Name: 2(3H)-Oxazolone, 4-(1,1'-biphenyl-4-yl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
RN: 120944-30-1
InChIKey: FTULXGWYEYCPRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H27-N3-O2.2Cl-H

Molecular Weight

  • 498.4511
 
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Names and Synonyms

Synonym

  • 4-(1,1'-Biphenyl-4-yl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone dihydrochloride

Systematic Name

  • 2(3H)-Oxazolone, 4-(1,1'-biphenyl-4-yl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 120944-30-1

System Generated Number

  • 0120944301

Molecular Formulas

Molecular Formula

  • C27-H27-N3-O2.2Cl-H

Molecular Formula Fragments

  • C27-H27-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H27N3O2.2ClH/c31-27-28-26(23-13-11-22(12-14-23)21-7-3-1-4-8-21)25(32-27)15-16-29-17-19-30(20-18-29)24-9-5-2-6-10-24;;/h1-14H,15-20H2,(H,28,31);2*1H

InChIKey

FTULXGWYEYCPRC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)c3c(oc(=O)[nH]3)CCN4CCN(CC4)c5ccccc5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2241, 1989.