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Substance Name: 1,3-Dioxol-2-one, 4-(1,1'-biphenyl)-4-yl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
RN: 71923-21-2
InChIKey: NYIFXTPLFUQKLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H26-N2-O3.2Cl-H

Molecular Weight

  • 499.4352
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71923-21-2

System Generated Number

  • 0071923212

Molecular Formulas

Molecular Formula

  • C27-H26-N2-O3.2Cl-H

Molecular Formula Fragments

  • C27-H26-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H26N2O3.2ClH/c30-27-31-25(15-16-28-17-19-29(20-18-28)24-9-5-2-6-10-24)26(32-27)23-13-11-22(12-14-23)21-7-3-1-4-8-21;;/h1-14H,15-20H2;2*1H

InChIKey

NYIFXTPLFUQKLI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)c3c(oc(=O)o3)CCN4CCN(CC4)c5ccccc5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.