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Substance Name: Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride
RN: 101041-02-5
InChIKey: IHYDDSCAEDLYAB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Cl-N2-S2.2Cl-H

Molecular Weight

  • 540.0201
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)piperazine
  • 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenylthio)ethyl piperazine 2HCl

Systematic Name

  • Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 101041-02-5

System Generated Number

  • 0101041025

Molecular Formulas

Molecular Formula

  • C26-H27-Cl-N2-S2.2Cl-H

Molecular Formula Fragments

  • C26-H27-Cl-N2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H27ClN2S2.2ClH/c27-21-10-11-25-20(18-21)19-24(23-8-4-5-9-26(23)31-25)29-14-12-28(13-15-29)16-17-30-22-6-2-1-3-7-22;;/h1-11,18,24H,12-17,19H2;2*1H

InChIKey

IHYDDSCAEDLYAB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SCCN2CCN(CC2)C3Cc4cc(ccc4Sc5c3cccc5)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2808mg/kg (2808mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1070, 1985.