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Oxcarbazepine

CAT: 0063-31059093-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0063-31059093-5gSize:5 g
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CAS Number
28721-07-5
Molecular Formula
C15H12N2O2
Molecular Weight
252.27

Chemical Information

Oxcarbazepine

Oxcarbazepine is a dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It has a role as an anticonvulsant and a drug allergen. It is a cyclic ketone and a dibenzoazepine. It contains a carbamoyl group.

CAS Number28721-07-5
PubChem CID34312
IUPAC Name5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
Molecular FormulaC15H12N2O2
Molecular Weight252.27
XLogP1.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity382
SMILES
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
InChI
InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
InChIKey
CTRLABGOLIVAIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxcarbazepine
CAS: 28721-07-5
CID: 34312
Formula: C15H12N2O2
MW: 252.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.27
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass252.089877630
Monoisotopic Mass252.089877630
Topological Polar Surface Area63.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
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

Alternative Products

CatalogName
B2279-10Oxcarbazepine

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