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Substance Name: Dibenzo(b,f)thiepin-10(11H)-one, 2-chloro-6-(2-(dimethylamino)ethoxy)-, hydrochloride, hydrate (2:2:1)
RN: 125981-90-0
InChIKey: KQWKDDJEORXKSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-N-O2-S.Cl-H.1/2H2-O

Molecular Weight

  • 384.3251
 
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Names and Synonyms

Synonym

  • 2-Chloro-6-(2-dimethylaminoethoxy)dibenzo(b,f)thiepin-10(11H)-one hydrochloride hemihydrate

Systematic Name

  • Dibenzo(b,f)thiepin-10(11H)-one, 2-chloro-6-(2-(dimethylamino)ethoxy)-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 125981-90-0

System Generated Number

  • 0125981900

Molecular Formulas

Molecular Formula

  • C18-H18-Cl-N-O2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C18-H18-Cl-N-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H18ClNO2S.ClH/c1-20(2)8-9-22-16-5-3-4-14-15(21)11-12-10-13(19)6-7-17(12)23-18(14)16;/h3-7,10H,8-9,11H2,1-2H3;1H

InChIKey

KQWKDDJEORXKSX-UHFFFAOYSA-N

Smiles

CN(C)CCOc1cccc2c1Sc3ccc(cc3CC2=O)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 84802ug/kg (84.802mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.