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CHEBI:145216 - 5-O-desmethyldonepezil

Default Structure
ChEBI IDCHEBI:145216
ChEBI Name5-O-desmethyldonepezil
Stars
ASCII Name5-O-desmethyldonepezil
DefinitionA member of the class of piperidines that is donepezil in which the 5-methoxy group has been demethylated to the corresponding hydroxy derivative. It is metabolite of donepezil, a drug used in the treatment of dementia.
Last Modified7 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC23H27NO3
Net Charge0
Average Mass365.473
Monoisotopic Mass365.19909
SMILES[H]C1(CC2CCN(Cc3ccccc3)CC2)Cc2cc(O)c(OC)cc2C1=O
InChIInChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChIKeyDSMISVLYMKJMLP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO_0000131) PubMed (26349080)
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
5-O-desmethyldonepezil (CHEBI:145216) has role drug metabolite (CHEBI:49103)
5-O-desmethyldonepezil (CHEBI:145216) is a aromatic ether (CHEBI:35618)
5-O-desmethyldonepezil (CHEBI:145216) is a cyclic ketone (CHEBI:3992)
5-O-desmethyldonepezil (CHEBI:145216) is a guaiacols (CHEBI:134251)
5-O-desmethyldonepezil (CHEBI:145216) is a piperidines (CHEBI:26151)
IUPAC Name 
2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-one
Synonyms  Source
1-benzyl-4-(5-hydroxy-6-methoxy-1-oxo-indan-2-yl)methylpiperidineChEBI
2-[(1-benzyl-4-piperidinyl)methyl]-5-hydroxy-6-methoxyindan-1-oneChEBI
2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydroinden-1-oneChEBI
2-(1-benzylpiperidine-4-ylmethyl)-5-hydroxy-6-methoxyindan-1-oneChEBI
5-O-desmethyl donepezilChemIDplus
Manual XrefsDatabases
HMDB0013958HMDB
Registry NumbersSources
CAS:120013-57-2ChemIDplus
Citations