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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride
RN: 101040-89-5
InChIKey: BEXUROQVQMOCQA-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

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 101040-89-5

System Generated Number

  • 0101040895

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

InChIKey

BEXUROQVQMOCQA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SCCN2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 578mg/kg (578mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1070, 1985.