Basic information
- CAS
4956-31-4- Standard SMILES
CN1CC[NH+](C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1.[Cl-]- InChIKey
HBBGEMOWBPOXIL-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2N3S
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.0676742
Names & identifiers
- Preferred name
- Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, hydrochloride
- IUPAC
- 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
Names & synonyms
HF-2159 hydrochloride2-Chloro-11-(4'-methyl)piperazino-dibenzo(b,f)(1,4)thiazepine hydrochloride4956-31-4Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, hydrochlorideRefChem:337128
Database identifiers
- CAS
4956-31-4- PubChem CID
- 21069
Properties
Computed structural properties
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…