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Substance Name: 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
RN: 95217-29-1
InChIKey: CHRSGMSEDZAAAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-F-N2-O4.2Cl-H

Molecular Weight

  • 471.353
 
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Names and Synonyms

Synonym

  • 4-(4-Fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,3-dioxol-2-one 2HCl

Systematic Name

  • 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 95217-29-1

System Generated Number

  • 0095217291

Molecular Formulas

Molecular Formula

  • C22-H23-F-N2-O4.2Cl-H

Molecular Formula Fragments

  • C22-H23-F-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23FN2O4.2ClH/c1-27-19-5-3-2-4-18(19)25-14-12-24(13-15-25)11-10-20-21(29-22(26)28-20)16-6-8-17(23)9-7-16;;/h2-9H,10-15H2,1H3;2*1H

InChIKey

CHRSGMSEDZAAAH-UHFFFAOYSA-N

Smiles

c1(c(oc(o1)=O)CCN1CCN(c2c(OC)cccc2)CC1)c1ccc(F)cc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.