Licarbazepine

C₁₅H₁₄N₂O₂CAS 29331-92-8254.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄N₂O₂
Molar mass: 254.29 g/mol
Exact mass: 254.1055 Da
Melting point: 185–188 °C
logP: 2.91Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed31.7% of notifiers
H317 May cause an allergic skin reaction31.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled31.7% of notifiers
H411 Toxic to aquatic life with long lasting effects65% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P501

Identifiers

CAS number

29331-92-8

SMILES

N=C(O)N1c2ccccc2CC(O)c2ccccc21

InChIKey

BMPDWHIDQYTSHX-UHFFFAOYSA-N

InChI

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-
10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide
GP 47779
10,11-Dihydro-10-hydroxycarbamazepine
10-Hydroxy-10,11-dihydrocarbamazepine
10-Hydroxy-10,11-dihydrocarbamezepine
BIA 2-005
10,11-Dihydro-10-hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide
10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide

Work with Licarbazepine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Eslicarbazepine104746-04-5Defined stereoisomer

Similar compounds

10,11-Dihydrocarbamazepine3564-73-662 % similar Eslicarbazepine acetate236395-14-558 % similar Oxcarbazepine28721-07-549 % similar Carbamazepine298-46-445 % similar 1-Indanol6351-10-640 % similar (±)-Acenaphthenol6306-07-640 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-137 % similar 1-Tetralol529-33-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyrrolidonyl-β-naphthylamide22155-91-5 Nepafenac78281-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook