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Donepezil-d7 hydrochloride

CAT: 0926-LAC39420-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-LAC39420-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261394-20-0
MDL Number
MFCD28138458
Smiles
C1=CN=C (C (=C1Br) I) N
Molecular Formula
C24H30ClNO3
Molecular Weight
423 g/mol
Controlled
No

Chemical Information

Donepezil-d7 Hydrochloride
CAS Number1261394-20-0
PubChem CID49849623
IUPAC Name2-[[1-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
Molecular FormulaC24H30ClNO3
Molecular Weight423.0
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity510
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])N2CCC(CC2)CC3CC4=CC(=C(C=C4C3=O)OC)OC)[2H])[2H].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/i3D,4D,5D,6D,7D,16D2;
InChIKey
XWAIAVWHZJNZQQ-KABCIJOFSA-N
Chemical Structure
2D Structure
2D structure of Donepezil-d7 Hydrochloride
CAS: 1261394-20-0
CID: 49849623
Formula: C24H30ClNO3
MW: 423.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass422.2353587
Monoisotopic Mass422.2353587
Topological Polar Surface Area38.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity510
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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