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CAT: 1410-M12148-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12148-02Size:5 mg
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Description
A donepezil analog that can moderately inhibit acetylcholinesterase and metal-induced Aβ aggregation in vitro and shows disassembly of Aβ aggregates.
CAS Number
1531586-58-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
405.498
Molecular Formula
C24H27N3O3
Notes
Research use only, not for human use.
Receptor
AChE

Chemical Information

6'-(2-(1-(Pyridin-2-ylmethyl)piperidin-4-yl)ethyl)spiro[cyClopropane-1,5'-[1,3]dioxolo[4,5-f]isoindol]-7'(6'H)-one
CAS Number1531586-58-9
PubChem CID72707125
IUPAC Name6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
Molecular FormulaC24H27N3O3
Molecular Weight405.5
XLogP2.7
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity646
SMILES
C1CN(CCC1CCN2C(=O)C3=CC4=C(C=C3C25CC5)OCO4)CC6=CC=CC=N6
InChI
InChI=1S/C24H27N3O3/c28-23-19-13-21-22(30-16-29-21)14-20(19)24(7-8-24)27(23)12-6-17-4-10-26(11-5-17)15-18-3-1-2-9-25-18/h1-3,9,13-14,17H,4-8,10-12,15-16H2
InChIKey
SJXBQKLTADWYTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6'-(2-(1-(Pyridin-2-ylmethyl)piperidin-4-yl)ethyl)spiro[cyClopropane-1,5'-[1,3]dioxolo[4,5-f]isoindol]-7'(6'H)-one
CAS: 1531586-58-9
CID: 72707125
Formula: C24H27N3O3
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass405.20524173
Monoisotopic Mass405.20524173
Topological Polar Surface Area54.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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