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3-Hydroxy Donepezil (Donepezil Impurity)

CAT: 0572-TRC-H941745-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941745-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2097683-67-3
Synonyms
1H-Inden-1-one, 2,3-dihydro-3-hydroxy-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-; 3-Hydroxydonepezil; 2-[(1-Benzylpiperidin-4-yl)methyl]-3-hydroxy-5,6-dimethoxyindan-1-one
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1cc2C(O)C(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Molecular Formula
C24 H29 N O4
Molecular Weight
395.49
InChI
InChI=1S/C24H29NO4/c1-28-21-13-18-19(14-22(21)29-2)24(27)20(23(18)26)12-16-8-10-25(11-9-16)15-17-6-4-3-5-7-17/h3-7,13-14,16,20,23,26H,8-12,15H2,1-2H3
Additionnal Information
IUPAC name: 2-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Hydroxy Donepezil (Donepezil Impurity)
CAS Number2097683-67-3
PubChem CID139025678
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-one
Molecular FormulaC24H29NO4
Molecular Weight395.5
XLogP3.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
COC1=C(C=C2C(=C1)C(C(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)O)OC
InChI
InChI=1S/C24H29NO4/c1-28-21-13-18-19(14-22(21)29-2)24(27)20(23(18)26)12-16-8-10-25(11-9-16)15-17-6-4-3-5-7-17/h3-7,13-14,16,20,23,26H,8-12,15H2,1-2H3
InChIKey
BAUCJPGULMYPTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Donepezil (Donepezil Impurity)
CAS: 2097683-67-3
CID: 139025678
Formula: C24H29NO4
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass395.20965841
Monoisotopic Mass395.20965841
Topological Polar Surface Area59 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
425901-013-Hydroxy Donepezil (Donepezil Impurity)
AR-D02172-01Donepezil Impurity (3-Hydroxy Donepezil)
4259023-Hydroxy Donepezil-d5 (Donepezil Impurity)
sc-211231Dehydrodeoxy Donepezil (Donepezil Impurity)
sc-218104Dehydro Donepezil (Donepezil Impurity)
RM-D141610-01Donepezil Hydroxy Acid Impurity
AR-D02168-01Hydroxy Donepezil
CS-O-160813-Hydroxy Donepezil
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RM-D141608-01Deoxy Donepezil; Donepezil Impurity P

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