Back to Search
Molecule
Oxcarbazepine
CAS: 28721-07-5 · C15H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28721-07-5
- Molecular Formula
- C15H12N2O2
- Molecular Mass
- 252.27 g/mol
Identifiers
CAS Registry Number
28721-07-5
SMILES
N=C(O)N1c2ccccc2CC(=O)c2ccccc21
InChI Key
CTRLABGOLIVAIY-UHFFFAOYSA-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)
Names and Synonyms
- Oxcarbazepine Common Name
- 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-oxo- Synonym
- 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide Synonym
- GP 47680 Synonym
- Oxcarbazepine Synonym
- Trileptal Synonym
- Oxacarbazepine Synonym
- Oxecarb Synonym
- Oxetol Synonym
- Aurene Synonym
- Tolep Synonym
- Timox Synonym
- Oxtellar Synonym
- 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide Synonym
- 10-Oxo-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.27 g/mol | CAS Common Chemistry |
| 252.27299999999997 g/mol | RDKit | |
| 252.273 g/mol | RDKit | |
| Canonical SMILES | O=C(N)N1C=2C=CC=CC2C(=O)CC=3C=CC=CC31 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=CTRLABGOLIVAIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215.5 °C | CAS Common Chemistry |
| Name | Oxcarbazepine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 64.39 Ų | RDKit |
| LogP | 3.0562700000000014 | RDKit |
| 3.0563 | RDKit | |
| Molar Refractivity | 73.41300000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 252.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 252.27 g/mol. Edit any field — others recompute live.
