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Ipenoxazone HCl

CAT: 0931-T71298-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71298-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118635-68-0
Target
Others, iGluR
Related Pathways
Neuroscience, Membrane transporter/Ion channel, Others
Bioactivity
Ipenoxazone HCl is a glutamate receptor antagonist potentially for the treatment of Alzheimer's disease.
Smiles
Cl.CC(C)C[C@H]1[C@H](OC(=O)N1CCCN1CCCCCC1)c1ccccc1
Molecular Formula
C22H35ClN2O2
Molecular Weight
394.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ipenoxazone Hydrochloride
CAS Number118635-68-0
PubChem CID13713369
IUPAC Name(4S,5R)-3-[3-(azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one;hydrochloride
Molecular FormulaC22H35ClN2O2
Molecular Weight395.0
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity426
SMILES
CC(C)C[C@H]1[C@H](OC(=O)N1CCCN2CCCCCC2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C22H34N2O2.ClH/c1-18(2)17-20-21(19-11-6-5-7-12-19)26-22(25)24(20)16-10-15-23-13-8-3-4-9-14-23;/h5-7,11-12,18,20-21H,3-4,8-10,13-17H2,1-2H3;1H/t20-,21+;/m0./s1
InChIKey
WXDRKSLHMGNBSF-JUDYQFGCSA-N
Chemical Structure
2D Structure
2D structure of Ipenoxazone Hydrochloride
CAS: 118635-68-0
CID: 13713369
Formula: C22H35ClN2O2
MW: 395.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass394.2387061
Monoisotopic Mass394.2387061
Topological Polar Surface Area32.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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