Basic information
- CAS
124316-02-5- Standard SMILES
CCC(C)(C)NCC(O)COc1cc(CCC(=O)c2ccc(C)cc2)ccc1OC- InChIKey
WUUQBRHWNUFEEB-UHFFFAOYSA-N- Molecular formula
- C25H35NO4
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.2566086
Overview
RN given for (+-)-isomer; RN given in first source
Names & identifiers
- Preferred name
- Alprafenone
- IUPAC
- 3-[3-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-4-methoxyphenyl]-1-(4-methylphenyl)propan-1-one
- English name
- alprafenone
- Molecular formula
- C25H35NO4
- Molecular weight
- 413.555
Names & synonyms
AlprafenoneAlprafenonaAlprafenonum124316-02-5D5H25D039VDTXSID808696971-(4-methylphenyl)-3-(3'-(2-hydroxy-3-tert-pentylaminopropoxy)-4'-methoxyphenyl)-1-propanoneRefChem:111427DTXCID40817634AH-141Alprafenone [INN]3-[3-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-4-methoxyphenyl]-1-(4-methylphenyl)propan-1-one
Show more names
Alprafenonum [INN-Latin]Alprafenona [INN-Spanish]UNII-D5H25D039VSCHEMBL1345342CHEMBL21040753-(3-{2-hydroxy-3-[(2-methylbutan-2-yl)amino]propoxy}-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-oneNS00126475Q27276122
Database identifiers
- CAS
124316-02-5- PubChem CID
- 65951
- DTXSID
DTXSID80869697- ChEMBL
CHEMBL2104075- UNII
- D5H25D039V
- Nikkaji
- J511.385G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- FDA UNII
- 5 H25D039V · D5H25D039V
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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