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Donepezil

CAT: 1596-AR-Z00955-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
120014-06-4
Synonyms
2- ((1-benzylpiperidin-4-yl) methyl) -5,6-dimethoxy-2,3-dihydro-1H-inden-1-one; 2,3-Dihydro-5,6-dimethoxy-2-[[1- (phenylmethyl) -4-piperidinyl]methyl]-1H-inden-1-one; (±) -E 2020; 1-Benzyl-4-[ (5,6-dimethoxy-1-oxoindan-2-yl) methyl]piperidine; Donepezil; Neuripezil; Tonizep
Molecular Formula
C24H29NO3
Molecular Weight
379.5
API Name
Donepezil

Chemical Information

Donepezil

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 Number120014-06-4
PubChem CID3152
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
Molecular FormulaC24H29NO3
Molecular Weight379.5
XLogP4.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity510
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC
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
InChIKey
ADEBPBSSDYVVLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Donepezil
CAS: 120014-06-4
CID: 3152
Formula: C24H29NO3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass379.21474379
Monoisotopic Mass379.21474379
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-D07508-01Donepezil Quaternary salt (Donepezilbenzyl) (USP)

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CatalogName
sc-211231Dehydrodeoxy Donepezil (Donepezil Impurity)
sc-218104Dehydro Donepezil (Donepezil Impurity)
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574677(+)-Donepezil
GTR19209160-01(+) -Donepezil

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