Dibenz(b,e)thiepin, 6,11-dihydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
Basic information
- CAS
1159-84-8- Standard SMILES
C[NH+](C)CCCC1c2ccccc2CSc2ccc(Cl)cc21.[Cl-]- InChIKey
YAEDRQZQMPYXHN-UHFFFAOYSA-N- Molecular formula
- C19H23Cl2NS
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 367.0928263
Names & identifiers
- Preferred name
- Dibenz(b,e)thiepin, 6,11-dihydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
- IUPAC
- 3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
Names & synonyms
Dibenz(b,e)thiepin, 6,11-dihydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride2-Chloro-6,11-dihydro-11-(3-(dimethylamino)propyl)dibenz(b,e)thiepin hydrochloride1159-84-8RefChem:337009
Database identifiers
- CAS
1159-84-8- PubChem CID
- 14394
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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