Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride
Basic information
- CAS
848-77-1- Standard SMILES
C[NH+](C)CCCC1c2ccccc2CSc2ccc(F)cc21.[Cl-]- InChIKey
NUZHVTZQUNKCSZ-UHFFFAOYSA-N- Molecular formula
- C19H23ClFNS
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1223768
Names & identifiers
- Preferred name
- Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride
- IUPAC
- 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
Names & synonyms
Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride6,11-Dihydro-11-(3-(dimethylamino)-1-propyl)-2-fluorodibenz(b,e)thiepin hydrochloride848-77-1RefChem:337006
Database identifiers
- CAS
848-77-1- PubChem CID
- 13317
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- 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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