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Eslicarbazepine Acetate

CAT: 0127-BUP15566-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15566-01Size:5 mg
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CAS Number
236395-14-5
Synonyms
Zebinix, Aptiom, BIA 2-093, Exalief, Stedesa
Purity
=98%
Smiles
O(C(C)=O)[C@@H]1C=2C(N(C(N)=O)C=3C(C1)=CC=CC3)=CC=CC2

Chemical Information

Eslicarbazepine Acetate

Eslicarbazepine acetate is the acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy. It has a role as an anticonvulsant and a drug allergen. It is a carboxamide, an acetate ester, a dibenzoazepine and a member of ureas. It is functionally related to a licarbazepine.

CAS Number236395-14-5
PubChem CID179344
IUPAC Name[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate
Molecular FormulaC17H16N2O3
Molecular Weight296.32
XLogP2
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity440
SMILES
CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
InChI
InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKey
QIALRBLEEWJACW-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Eslicarbazepine Acetate
CAS: 236395-14-5
CID: 179344
Formula: C17H16N2O3
MW: 296.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.32
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass296.11609238
Monoisotopic Mass296.11609238
Topological Polar Surface Area72.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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