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Donepezil Benzyl Bromide

CAT: 1299-RM-D141602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D141602-01Size:10 mg
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CAS Number
844694-85-5
Synonyms
1,1-Dibenzyl-4-[ (5,6-dimethoxy-1-oxoindan-2-yl) methyl]piperidinium bromide
Molecular Formula
C31H36NO3 Br
Molecular Weight
470.63 79.90
Target Alternative Name
Donepezil
Product Name Synonym
1,1-Dibenzyl-4-[ (5,6-dimethoxy-1-oxoindan-2-yl) methyl]piperidinium bromide

Chemical Information

Donepezilbenzyl bromide
CAS Number844694-85-5
PubChem CID11613681
IUPAC Name2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide
Molecular FormulaC31H36BrNO3
Molecular Weight550.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity653
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CC[N+](CC3)(CC4=CC=CC=C4)CC5=CC=CC=C5)OC.[Br-]
InChI
InChI=1S/C31H36NO3.BrH/c1-34-29-19-26-18-27(31(33)28(26)20-30(29)35-2)17-23-13-15-32(16-14-23,21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25;/h3-12,19-20,23,27H,13-18,21-22H2,1-2H3;1H/q+1;/p-1
InChIKey
SSZOWVQOUFMSCQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Donepezilbenzyl bromide
CAS: 844694-85-5
CID: 11613681
Formula: C31H36BrNO3
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass549.18786
Monoisotopic Mass549.18786
Topological Polar Surface Area35.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity653
Isotope Atom Count0
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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Alternative Products

CatalogName
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sc-257147BBenzyl bromide-d7
LLA01310-01Benzyl bromide-13C6
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sc-257146Benzyl bromide-α, α-d2
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