Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate
Basic information
- CAS
74203-69-3- Standard SMILES
CCC1COC(c2cccc(F)c2)OC12CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.[Cl-]- InChIKey
QWSKKPFYSYBPDU-UHFFFAOYSA-N- Molecular formula
- C26H32ClF2NO3
- Average molar mass
- 480 g/mol
- Monoisotopic mass
- 479.2038779
Names & identifiers
- Preferred name
- Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrate
- IUPAC
- 4-[5-ethyl-2-(3-fluorophenyl)-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-one chloride
Names & synonyms
74203-69-31,3-Dioxa-9-azaspiro(5.5)undecane, 5-ethyl-9-(3-(fluorobenzoyl)propyl)-2-(m-fluorophenyl)-Butyrophenone, 4-(5-ethyl-2-(m-fluorophenyl)-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, hydrochloride, hydrateRefChem:331469
Database identifiers
- CAS
74203-69-3- PubChem CID
- 52991
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 602
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…