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Substance Name: Dibenzo(b,f)thiepin-10(11H)-one, 6-(2-(dimethylamino)ethoxy)-, hydrochloride
RN: 125981-89-7
InChIKey: CYXKKYHEZIVSCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O2-S.Cl-H

Molecular Weight

  • 349.88
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125981-89-7

System Generated Number

  • 0125981897

Molecular Formulas

Molecular Formula

  • C18-H19-N-O2-S.Cl-H

Molecular Formula Fragments

  • C18-H19-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NO2S.ClH/c1-19(2)10-11-21-16-8-5-7-14-15(20)12-13-6-3-4-9-17(13)22-18(14)16;/h3-9H,10-12H2,1-2H3;1H

InChIKey

CYXKKYHEZIVSCU-UHFFFAOYSA-N

Smiles

CN(C)CCOc1cccc2c1Sc3ccccc3CC2=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62515ug/kg (62.515mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.
mouse LD50 oral 287mg/kg (287mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.