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Substance Name: 1,3-Dioxol-2-one, 5-(2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride
RN: 71923-07-4
InChIKey: ZDBAUJSXXKECQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-Cl2-F-N2-O3.Cl-H

Molecular Weight

  • 473.757
 
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Names and Synonyms

Synonym

  • 5-(2-(4-(3,4-Dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-1,3-dioxol-2-one HCl

Systematic Name

  • 1,3-Dioxol-2-one, 5-(2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 71923-07-4

System Generated Number

  • 0071923074

Molecular Formulas

Molecular Formula

  • C21-H19-Cl2-F-N2-O3.Cl-H

Molecular Formula Fragments

  • C21-H19-Cl2-F-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19Cl2FN2O3.ClH/c22-17-6-5-16(13-18(17)23)26-11-9-25(10-12-26)8-7-19-20(29-21(27)28-19)14-1-3-15(24)4-2-14;/h1-6,13H,7-12H2;1H

InChIKey

ZDBAUJSXXKECQJ-UHFFFAOYSA-N

Smiles

c1(c(CC[NH+]2CCN(c3cc(c(Cl)cc3)Cl)CC2)oc(o1)=O)c1ccc(F)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.