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Icopezil maleate

CAT: 0013-GTR19194320Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194320Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Icopezil maleate is a bioactive small molecule compound utilized in research. It is employed in both in vitro and in vivo studies within neuroscience, particularly for investigating cognitive function and cholinergic system modulation.
CAS Number
145815-98-1
Smiles
C (=C\C (O) =O) \C (O) =O.C (CC1CCN (CC2=CC=CC=C2) CC1) C=3C4=C (C=C5C (=C4) CC (=O) N5) ON3
Molecular Formula
C27H29N3O6
Molecular Weight
491.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Icopezil Maleate
CAS Number145815-98-1
PubChem CID135462830
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one;(Z)-but-2-enedioic acid
Molecular FormulaC27H29N3O6
Molecular Weight491.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity661
SMILES
C1CN(CCC1CCC2=NOC3=C2C=C4CC(=O)NC4=C3)CC5=CC=CC=C5.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C23H25N3O2.C4H4O4/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;5-3(6)1-2-4(7)8/h1-5,12,14,16H,6-11,13,15H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
CTYSKGVFLJLGGX-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Icopezil Maleate
CAS: 145815-98-1
CID: 135462830
Formula: C27H29N3O6
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass491.20563565
Monoisotopic Mass491.20563565
Topological Polar Surface Area133 Ų
Heavy Atom Count36
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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