Basic information
- CAS
62674-88-8- Standard SMILES
C[NH+](C)CC[C@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O.[Cl-]- InChIKey
XFRDUYQFDGZSDE-DJKAKHFESA-N- Molecular formula
- C18H21Cl2NOS
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.0720909
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride, cis-
- IUPAC
- 2-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium chloride
Names & synonyms
cis-10,11-Dihydro-8-chloro-11-(2-(dimethylamino)ethyl)dibenzo(b,f)thiepin-10-ol hydrochlorideDibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride, cis-62674-88-8RefChem:337178
Database identifiers
- CAS
62674-88-8- PubChem CID
- 44128
Properties
Computed structural properties
- Topological polar surface area
- 50 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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