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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate
RN: 101040-86-2
InChIKey: LPQQWHXFTMLTMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Cl-N2-O-S.2Cl-H.H2-O

Molecular Weight

  • 523.9531
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 101040-86-2

System Generated Number

  • 0101040862

Molecular Formulas

Molecular Formula

  • C26-H27-Cl-N2-O-S.2Cl-H.H2-O

Molecular Formula Fragments

  • C26-H27-Cl-N2-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H27ClN2OS.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

LPQQWHXFTMLTMN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OCCN2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 601mg/kg (601mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. S1070, 1985.