Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Basic information
- CAS
2589-00-6- Standard SMILES
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1.Cl- InChIKey
UKPBAERJQQMCIP-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO2
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.1808568
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-(diethylamino)ethyl 2,2-diphenylpropanoate;hydrochloride
- English name
- Aprofene
- Molecular formula
- C21H28ClNO2
- Molecular weight
- 361.90552
Names & synonyms
Aprofene hydrochlorideAprophen hydrochlorideAprofene HCl2589-00-6C71L7ID7HVDTXSID70180540RefChem:1078352DTXCID10103031Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)Aprofen hydrochloride2-(diethylamino)ethyl 2,2-diphenylpropanoate;hydrochlorideBenzeneacetic acid, a-methyl-a-phenyl-, 2-(diethylamino)ethylester, hydrochloride (9CI)
Show more names
AprofeneAcedoben Impurity 22-(diethylamino)ethyl 2,2-diphenylpropanoate hydrochloride
UNII-C71L7ID7HV2-Diethylaminoethyl 2,2-diphenylpropionate hydrochloride2,2-Diphenylpropionic acid 2-(diethylamino)ethyl ester hydrochlorideCHEMBL543376orb1739907SCHEMBL12481597AKOS032963566APROFENE HYDROCHLORIDE [MART.]
Database identifiers
- CAS
2589-00-6- PubChem CID
- 170353
- DTXSID
DTXSID70180540- ChEMBL
CHEMBL543376- UNII
- C71L7ID7HV
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Stability
- Incompatible with strong oxidizing agents.
- FDA UNII
- 71 L7ID7HV · C71L7ID7HV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…