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Icopezil

CAT: 0931-T68084-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T68084-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145508-78-7
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
0.9935
Bioactivity
Icopezil is a small molecule acetylcholinesterase in (AChE) inhibitor for the treatment of neurological disorders and can be used in the study of Alzheimer's disease.
Smiles
C(CC1CCN(CC2=CC=CC=C2)CC1)C=3C4=C(C=C5C(=C4)CC(=O)N5)ON3
Molecular Formula
C23H25N3O2
Molecular Weight
375.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Icopezil

Icopezil is a small molecule drug. Icopezil has a monoisotopic molecular weight of 375.19 Da.

CAS Number145508-78-7
PubChem CID172972
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
Molecular FormulaC23H25N3O2
Molecular Weight375.5
XLogP3.5
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity542
SMILES
C1CN(CCC1CCC2=NOC3=C2C=C4CC(=O)NC4=C3)CC5=CC=CC=C5
InChI
InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
InChIKey
MTCMTKNMZCPKLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icopezil
CAS: 145508-78-7
CID: 172972
Formula: C23H25N3O2
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass375.19467705
Monoisotopic Mass375.19467705
Topological Polar Surface Area58.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity542
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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