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Substance Name: Dibenzo(b,f)thiepin-10(11H)-one, 2-chloro-6-(2-(methylamino)ethoxy)-, hydrochloride
RN: 125981-96-6
InChIKey: KKEAHQXVIHLALA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Cl-N-O2-S.Cl-H

Molecular Weight

  • 370.2983
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125981-96-6

System Generated Number

  • 0125981966

Molecular Formulas

Molecular Formula

  • C17-H16-Cl-N-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H16-Cl-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H16ClNO2S.ClH/c1-19-7-8-21-15-4-2-3-13-14(20)10-11-9-12(18)5-6-16(11)22-17(13)15;/h2-6,9,19H,7-8,10H2,1H3;1H

InChIKey

KKEAHQXVIHLALA-UHFFFAOYSA-N

Smiles

CNCCOc1cccc2c1Sc3ccc(cc3CC2=O)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 98056ug/kg (98.056mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.