Basic information
- CAS
3563-01-7- Standard SMILES
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1- InChIKey
DIDYGLSKVUKRRP-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Aprofene
- IUPAC
- 2-(diethylamino)ethyl 2,2-diphenylpropanoate
- English name
- Diethylaminoethyl
- Molecular formula
- C21H27NO2
- Molecular weight
- 325.44
Names & synonyms
AprofeneAprophenAprofenAprofene [INN]AprofenoAprophenumDTXSID8046294AprofenumAprofenum [INN-Latin]Aprofeno [INN-Spanish]2,2-Diphenylpropionic acid 2-diethylaminoethyl esterPropionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester
Show more names
Diethylaminoethyl2,2-Diphenylpropionic acid 2-(diethylamino)ethyl esterα-Methyl-α-phenylphenylacetic acid 2-(diethylamino)ethyl esterBenzeneacetic acid, α-methyl-α-phenyl-, 2-(diethylamino)ethyl ester
UNII-PL791XXJ7BBRN 25093262,2-diphenylpropanoic acid N,N-diethylaminoethyl esterDTXCID6026294alpha-Methyl-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl esteralpha,alpha-Diphenylpropionic acid 2-diethylaminoethyl esterAprofenum (INN-Latin)alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester
Database identifiers
- CAS
3563-01-7- PubChem CID
- 71128
- DTXSID
DTXSID8046294
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 180 · 180-185 °C(Press: 2 Torr)
- Density
- 1.05 g/cm3 · 1.0500 g/cm3
- pka
- 9.2 · 9.20±0.25(Predicted)
- FDA UNII
- 791 XXJ7B · PL791XXJ7B
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
UsesAprophen (Aprofene) is an antimuscarinic inhibitor. Aprophen can be used for the research of central nervous system[1].
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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