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(R) -Licarbazepine Acetate

CAT: 0931-T24958-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24958-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186694-45-1
Target
Others, Beta-Secretase, Sodium Channel
Related Pathways
Membrane transporter/Ion channel, Neuroscience, Others
Bioactivity
(R) -Licarbazepine Acetate is a hopeful antiepileptic drug structurally related to Carbamazepine and Oxcarbazepine.
Smiles
O(C(C)=O)[C@H]1C=2C(N(C(N)=O)C=3C(C1)=CC=CC3)=CC=CC2
Molecular Formula
C17H16N2O3
Molecular Weight
296.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-Licarbazepine Acetate
CAS Number186694-45-1
PubChem CID10590023
IUPAC Name[(5R)-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-/m1/s1
InChIKey
QIALRBLEEWJACW-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of (R)-Licarbazepine Acetate
CAS: 186694-45-1
CID: 10590023
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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