HuagongsheHuagongshe Chemistry Print Report · For research reference only
Licarbazepine
Licarbazepine · GP 47779 · BIA 2-005 · GP 47779-d3 · BIA 2-005-d3 · icarbazepine · Hydroxycarbamazepine · Licarbazepine Racemate
Identifiers & Physical Properties
| CAS No. | 29331-92-8 |
|---|---|
| Molecular formula | C15H14N2O2 |
| Average molar mass | 254.289 g/mol |
| Monoisotopic mass | 254.10552769 g/mol |
| SMILES | NC(=O)N1c2ccccc2CC(O)c2ccccc21 |
| InChIKey | BMPDWHIDQYTSHX-UHFFFAOYSA-N |
| PubChem CID | 114709 |
| ChEMBL | CHEMBL1067 |
| ChEBI | CHEBI:701 |
| EC No. | 608-350-1 |
| DTXSID | DTXSID50865484 |
Chemical & Physical Properties
| Melting point | 186-189°C |
|---|---|
| Boiling point | 431.3±55.0 °C(Predicted) |
| Density | 1.336 |
| Flash point | 2℃ |
| Storage conditions | -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 50 mM in ethanol |
| Physical state | Solid |
| pKa (acidity coefficient) | 13.75±0.20(Predicted) |
| Color | White to off-white |
| BRN | 1540211 |
| Major applications | forensics and toxicologypharmaceutical (small molecule) |
| InChI | 1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) |
| InChIKey | BMPDWHIDQYTSHX-UHFFFAOYSA-N |
| SMILES | N1(c2c(cccc2)C(Cc3c1cccc3)O)C(=O)N |
| CAS DataBase Reference | 29331-92-8 |
| FDA UNII | XFX1A5KJ3V |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS09 |
| Signal word | Danger |
| GHS hazard statements | H411 |
| GHS precautionary statements | P273-P391-P501 |
| Hazard symbols | N,Xn,F |
| Risk statements (R) | 51/53-36-20/21/22-11 |
| Safety statements (S) | 61-36/37-26-16 |
| UN transport number | UN 3077 9 / PGIII |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Aquatic Chronic 2 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| UN transport number | UN 3077 9 / PGIII |
| Risk statements (R) | 51/53-36-20/21/22-11 |
| Signal word | Danger |
| GHS pictogram | GHS09 |
| Hazard symbols | N,Xn,F |
| Safety statements (S) | 61-36/37-26-16 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H411 |
| Hazard class | Aquatic Chronic 2 |
| GHS precautionary statements | P273-P391-P501 |
Applications & Uses
Uses
A metabolite of Oxcarbazepine
Uses
A labelled metabolite of Oxcarbazepine
Uses
10,11-dihydro-10-hydroxy Carbamazepinee is the active metabolite of oxcarbazepine . Oxcarbazepine is rapidly and almost completely converted to 10,11-dihydro-10-hydroxycarbamazepine, which then demonstrates anticonvulsant efficacy by modulating several ion channels and receptors. 10,11-dihydro-10-hydroxy Carbamazepine is reported to inhibit both voltage-gated Na+ and Ca2+ channels, to potentiate voltage-gated K+ channels, to antagonize adenosine A1 receptors, to increase dopaminergic transmission, and to inhibit glutamate release.