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Substance Name: 1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
RN: 71923-10-9
InChIKey: DAGBUFHTZRLFSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O3-S.2Cl-H

Molecular Weight

  • 469.4304
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71923-10-9

System Generated Number

  • 0071923109

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O3-S.2Cl-H

Molecular Formula Fragments

  • C22-H24-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O3S.2ClH/c1-28-19-9-7-17(8-10-19)21-20(26-22(25)27-21)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18;;/h2-10H,11-16H2,1H3;2*1H

InChIKey

DAGBUFHTZRLFSM-UHFFFAOYSA-N

Smiles

CSc1ccc(cc1)c2c(oc(=O)o2)CCN3CCN(CC3)c4ccccc4.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.