Donepezil hydrochloride monohydrateProduct ingredient for Donepezil

Name
Donepezil hydrochloride monohydrate
Drug Entry
Donepezil

In 2016, the global burden of dementia was estimated to be 43.8 million, demonstrating a significant increase from a global prevalence of 20.2 million in 1990.16 Donepezil, also known as Aricept, is a piperidine derivative acetylcholinesterase inhibitor used in the management of the dementia of Alzheimer's Disease, and in some cases, is used to manage other types of dementia.

Donepezil was first approved by the FDA in 1996, and its extended-release form was approved in combination with Memantine in 2014 to manage moderate and severe forms of Alzheimer's dementia.19,22 A donepezil transdermal delivery system, Adlarity, was approved by the FDA in March 2022 for the treatment of Alzheimer's dementia.24 Though it does not alter the progression of Alzheimer's disease, donepezil is effective in managing the symptoms of its associated dementia.18

Accession Number
DBSALT003199
Structure
Synonyms
Donepezil HCl monohydrate
UNII
7KZL5YRL6W
CAS Number
884740-09-4
Weight
Average: 433.97
Monoisotopic: 433.2019862
Chemical Formula
C24H32ClNO4
InChI Key
HLJIZAKUNCTCQX-UHFFFAOYSA-N
InChI
InChI=1S/C24H29NO3.ClH.H2O/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H;1H2
IUPAC Name
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrate hydrochloride
SMILES
O.Cl.COC1=CC2=C(C=C1OC)C(=O)C(CC1CCN(CC3=CC=CC=C3)CC1)C2
ChemSpider
9872489
ChEMBL
CHEMBL2337271
Predicted Properties
PropertyValueSource
Water Solubility0.0045 mg/mLALOGPS
logP4.14ALOGPS
logP4.21Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)16.78Chemaxon
pKa (Strongest Basic)9.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.77 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity112.11 m3·mol-1Chemaxon
Polarizability44.27 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon