Basic information
- CAS
25627-39-8- Standard SMILES
C[NH+](C)CC/C=C1/c2ccccc2CSc2ccccc21.[Cl-]- InChIKey
XUPZAARQDNSRJB-CULRIWENSA-N- Molecular formula
- C19H22ClNS
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1161486
Overview
Dothiepin hydrochloride is a hydrochloride. It has a role as an antidepressant. It contains a dothiepin.
Names & identifiers
- Preferred name
- cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride
- IUPAC
- [(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Names & synonyms
cis-dothiepin hydrochloride[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;chloride25627-39-8CHEBI:36804cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochlorideQ27114347(3Z)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride
Database identifiers
- CAS
25627-39-8- PubChem CID
- 5282425
- ChEBI
CHEBI:31519
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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