Basic information
- CAS
73962-22-8- Standard SMILES
COC1Oc2ccccc2C12CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.O=C([O-])C(=O)O- InChIKey
GZXSYCUXHPCIDB-UHFFFAOYSA-N- Molecular formula
- C25H28FNO7
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.18498039
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(2-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, oxalate, hemihydrate
- IUPAC
- 1-(4-fluorophenyl)-4-(2-methoxyspiro[2H-1-benzofuran-3,4'-piperidin-1-ium]-1'-yl)butan-1-one;2-hydroxy-2-oxoacetate
Names & synonyms
73962-22-8Butyrophenone, 4'-fluoro-4-(2-methoxyspiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-, oxalate, hemihydrateRefChem:331405
Database identifiers
- CAS
73962-22-8- PubChem CID
- 52826
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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