Basic information
- CAS
103432-84-4- Standard SMILES
CC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2.CS(=O)(=O)O- InChIKey
CRZMFYAQHHWHLW-UHFFFAOYSA-N- Molecular formula
- C24H33FN2O4S2
- Average molar mass
- 496.7 g/mol
- Monoisotopic mass
- 496.18657805
Names & identifiers
- Preferred name
- 4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol monomethanesulfonate (salt)
- IUPAC
- 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
Names & synonyms
103432-84-44-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol monomethanesulfonate (salt)DTXSID709084031-Piperazineethanol, 4-(3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate (salt)Methanesulfonic acid--2-{4-[3-fluoro-8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol (1/1)
Database identifiers
- CAS
103432-84-4- PubChem CID
- 149191
- DTXSID
DTXSID70908403
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…