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Donepezil-d4 (HCl salt)

CAT: 1596-AR-D02150-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02150-01Size:10 Units
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CAS Number
1219798-88-5
Synonyms
2- ((1-benzylpiperidin-4-yl) methyl) -5,6-dimethoxy-2,3-dihydro-1H-inden-1-one-D4; 2,3-Dihydro-5,6-dimethoxy-2-[[1- (phenylmethyl) -4-piperidinyl]methyl]-1H-inden-1-one-D4; (±) -E 2020-D4; 1-Benzyl-4-[ (5,6-dimethoxy-1-oxoindan-2-yl) methyl]piperidine-D4; Donepezil-D4; Neuripezil-D4; Tonizep
Molecular Formula
C24H25NO3D4; HCl
Molecular Weight
383.53; 36.46
API Name
Donepezil

Chemical Information

Donepezil-d4 (hydrochloride)
CAS Number1219798-88-5
PubChem CID131869293
IUPAC Name2-[dideuterio-[1-[dideuterio(phenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
Molecular FormulaC24H30ClNO3
Molecular Weight420.0
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity510
SMILES
[2H]C([2H])(C1CCN(CC1)C([2H])([2H])C2=CC=CC=C2)C3CC4=CC(=C(C=C4C3=O)OC)OC.Cl
InChI
InChI=1S/C24H29NO3.ClH/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/i12D2,16D2;
InChIKey
XWAIAVWHZJNZQQ-XFRCSBOFSA-N
Chemical Structure
2D Structure
2D structure of Donepezil-d4 (hydrochloride)
CAS: 1219798-88-5
CID: 131869293
Formula: C24H30ClNO3
MW: 420.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass419.2165285
Monoisotopic Mass419.2165285
Topological Polar Surface Area38.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity510
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes