Donepezil

Chemical Information
Donepezil is a racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a nootropic agent. It contains a (S)-donepezil and a (R)-donepezil. It is a conjugate base of a donepezil (1+).
| CAS Number | 120014-06-4 |
| PubChem CID | 3152 |
| IUPAC Name | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| Molecular Formula | C24H29NO3 |
| Molecular Weight | 379.5 |
| XLogP | 4.3 |
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 510 |
| Property | Value |
|---|---|
| Molecular Weight | 379.5 |
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 379.21474379 |
| Monoisotopic Mass | 379.21474379 |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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