CHEBI:53290 - (S)-donepezil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-donepezil
ChEBI ID CHEBI:53290
ChEBI ASCII Name (S)-donepezil
Definition A 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one that has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C24H29NO3
Net Charge 0
Average Mass 379.49200
Monoisotopic Mass 379.21474
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/t20-/m0/s1
InChIKey ADEBPBSSDYVVLD-FQEVSTJZSA-N
SMILES [H][C@]1(CC2CCN(CC2)Cc2ccccc2)Cc2cc(OC)c(OC)cc2C1=O
ChEBI Ontology
Outgoing (S)-donepezil (CHEBI:53290) is a 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499)
(S)-donepezil (CHEBI:53290) is conjugate base of (S)-donepezil(1+) (CHEBI:145503)
(S)-donepezil (CHEBI:53290) is enantiomer of (R)-donepezil (CHEBI:53292)
Incoming donepezil (CHEBI:53289) has part (S)-donepezil (CHEBI:53290)
(S)-donepezil(1+) (CHEBI:145503) is conjugate acid of (S)-donepezil (CHEBI:53290)
(R)-donepezil (CHEBI:53292) is enantiomer of (S)-donepezil (CHEBI:53290)
IUPAC Name
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one
Registry Numbers Types Sources
7081957 Reaxys Registry Number Reaxys
7081957 Beilstein Registry Number Beilstein
Last Modified
26 November 2019