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Basic information
- CAS
29331-92-8- Standard SMILES
NC(=O)N1c2ccccc2CC(O)c2ccccc21- InChIKey
BMPDWHIDQYTSHX-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.289 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- Licarbazepine
- IUPAC
- 10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
- English name
- 10,11-DIHYDRO-10-HYDROXYCARBAZEPINE
- Molecular formula
- C15H14N2O2
- Molecular weight
- 254.28
Names & synonyms
LicarbazepineGP 47779BIA 2-005GP 47779-d3BIA 2-005-d3icarbazepineHydroxycarbamazepineLicarbazepine Racemate10,11-Dihydro-10-hydroxyLicarbazepine (Standard)
Database identifiers
- CAS
29331-92-8- PubChem CID
- 114709
- DTXSID
DTXSID50865484- ChEMBL
CHEMBL1067- ChEBI
CHEBI:701- UNII
- XFX1A5KJ3V
- EC Number
- 608-350-1
- Nikkaji
- J394.865J
Properties
Physicochemical properties
- Melting point
- 186 · 186-189°C
- Boiling point
- 431.3 · 431.3±55.0 °C(Predicted)
- Density
- 1.336 · 1.336
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · -20°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 50 mM in ethanol
- form
- Solid
- pka
- 13.75 · 13.75±0.20(Predicted)
- color
- White to off-white
- BRN
- 1540211 · 1540211
- Major Application
- 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 · 29331-92-8
- FDA UNII
- 1 A5KJ3V · XFX1A5KJ3V
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Danger
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273-P391-P501
- Hazard Codes
- N,Xn,F
- Risk Statements
- 51 · 51/53-36-20/21/22-11
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 51/53-36-20/21/22-11
- Signal word
- Danger
- Symbol(GHS)
- GHS09
- hazard_code
- N,Xn,F
- safety_code
- 61-36/37-26-16
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H411
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesA metabolite of Oxcarbazepine
UsesA labelled metabolite of Oxcarbazepine
Uses10,11-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.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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