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Donepezil EP Impurity F

CAT: 1299-RM-D141629-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D141629-01Size:10 mg
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CAS Number
145546-80-1
Synonyms
(E) -2- ((1-benzylpiperidin-4-yl) methylene) -5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Molecular Formula
C24H27NO3
Molecular Weight
377.48
Target Alternative Name
Donepezil
Product Name Synonym
(E) -2- ((1-benzylpiperidin-4-yl) methylene) -5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

Chemical Information

2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-

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CAS Number145546-80-1
PubChem CID10762160
IUPAC Name(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
Molecular FormulaC24H27NO3
Molecular Weight377.5
XLogP4.2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity560
SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC
InChI
InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
InChIKey
LPMOTUSFDTTWJL-UDWIEESQSA-N
Chemical Structure
2D Structure
2D structure of 2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-
CAS: 145546-80-1
CID: 10762160
Formula: C24H27NO3
MW: 377.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight377.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass377.19909372
Monoisotopic Mass377.19909372
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-211231Dehydrodeoxy Donepezil (Donepezil Impurity)
sc-218104Dehydro Donepezil (Donepezil Impurity)
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425901-013-Hydroxy Donepezil (Donepezil Impurity)
AR-D02172-01Donepezil Impurity (3-Hydroxy Donepezil)
TRC-H941747-25MG3-Hydroxy Donepezil-d5 (Donepezil Impurity)
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