donepezil   Click here for help

GtoPdb Ligand ID: 6599

Synonyms: Aricept® | E-2020
Approved drug
donepezil is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: May be refered to as donepezil hydrochloride (PubChem CID 5741). In addition to the original brand, Aricept, generic donepezil formulations are now approved by the US FDA.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 38.77
Molecular weight 379.21
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1
Isomeric SMILES COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1
InChI InChI=1S/C24H29NO3/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
InChI Key ADEBPBSSDYVVLD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name Click here for help
5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one
International Nonproprietary Names Click here for help
INN number INN
7517 donepezil
Synonyms Click here for help
Aricept® | E-2020
Database Links Click here for help
CAS Registry No. 120014-06-4
ChEMBL Ligand CHEMBL502
DrugBank Ligand DB00843
DrugCentral Ligand 946
GtoPdb PubChem SID 178103212
PubChem CID 3152
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SynPHARM 78555 (in complex with acetylcholinesterase (Cartwright blood group))
Wikipedia Donepezil