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Oxcarbazepine-D2

CAT: 0572-TRC-O869251-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O869251-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1134188-69-4
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])C(=O)c2ccccc2N(C(=O)N)c3ccccc13
Molecular Formula
C15 D2 H10 N2 O2
Molecular Weight
254.28
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)/i9D2
Additionnal Information
IUPAC name: 5,5-dideuterio-6-oxobenzo[b][1]benzazepine-11-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

Oxcarbazepine-D2
CAS Number1134188-69-4
PubChem CID25235615
IUPAC Name5,5-dideuterio-6-oxobenzo[b][1]benzazepine-11-carboxamide
Molecular FormulaC15H12N2O2
Molecular Weight254.28
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
[2H]C1(C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N)[2H]
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)/i9D2
InChIKey
CTRLABGOLIVAIY-KNXIQCGSSA-N
Chemical Structure
2D Structure
2D structure of Oxcarbazepine-D2
CAS: 1134188-69-4
CID: 25235615
Formula: C15H12N2O2
MW: 254.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass254.102431122
Monoisotopic Mass254.102431122
Topological Polar Surface Area63.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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