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Substance Name: Dibenzo(b,f)thiepin-10(11H)-one, 6-(2-(1-piperidinyl)ethoxy)-, hydrochloride, hydrate (2:2:1)
RN: 125981-91-1
InChIKey: AFWWWGAGTYVBAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O2-S.Cl-H.1/2H2-O

Molecular Weight

  • 389.9446
 
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Names and Synonyms

Synonym

  • 6-(2-(Piperidino)ethoxy)dibenzo(b,f)thiepin-10(11H)-one hydrochyloride hemihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125981-91-1

System Generated Number

  • 0125981911

Molecular Formulas

Molecular Formula

  • C21-H23-N-O2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H23-N-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H23NO2S.ClH/c23-18-15-16-7-2-3-10-20(16)25-21-17(18)8-6-9-19(21)24-14-13-22-11-4-1-5-12-22;/h2-3,6-10H,1,4-5,11-15H2;1H

InChIKey

AFWWWGAGTYVBAT-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CC(=O)c3cccc(c3S2)OCCN4CCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37244ug/kg (37.244mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.