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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;1HInChIKey
KQWKDDJEORXKSX-UHFFFAOYSA-NSmiles
CN(C)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. |