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Substance Name: 1-Piperidineethanol, 4-(2-chlorodibenzo(b,e)thiepin-11(6H)-ylidene)-, hydrochloride
RN: 93747-16-1
InChIKey: AAWQWGPFHXVZJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N-O-S.Cl-H

Molecular Weight

  • 408.3907
 
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Names and Synonyms

Synonyms

  • 2-Chloro-11-(1-(2-hydroxyethyl)-4-piperidylidene)-6,11-dihydrodibenzo(b,e)thiepin HCl
  • 4-(2-Chlorodibenzo(b,e)thiepin-11(6H)-ylidene)-1-piperidineethanol hydrochloride

Systematic Name

  • 1-Piperidineethanol, 4-(2-chlorodibenzo(b,e)thiepin-11(6H)-ylidene)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 93747-16-1

System Generated Number

  • 0093747161

Molecular Formulas

Molecular Formula

  • C21-H22-Cl-N-O-S.Cl-H

Molecular Formula Fragments

  • C21-H22-Cl-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22ClNOS.ClH/c22-17-5-6-20-19(13-17)21(15-7-9-23(10-8-15)11-12-24)18-4-2-1-3-16(18)14-25-20;/h1-6,13,24H,7-12,14H2;1H

InChIKey

AAWQWGPFHXVZJT-UHFFFAOYSA-N

Smiles

Cl.OCCN1CCC(=C2c3ccccc3CSc4ccc(Cl)cc24)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 453mg/kg (453mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 1800, 1984.