Molecule ID: 114709

IUPAC Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

Description: The molecule is a dibenzoazepine that is 5H-dibenzo[b,f]azepine, reduced across the C-10,11 positions and carrying a carbamoyl substituent at the azepine nitrogen and a hydroxy function at C-10. A voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects, it is related to oxcarbazepine and is an active metabolite of oxcarbazepine. It has a role as a sodium channel blocker, an anticonvulsant and a drug allergen. It is a carboxamide, a dibenzoazepine and a member of ureas. It derives from a carbamazepine.

SMILES: N=C(O)N1c2ccccc2CC(O)c2ccccc21

SELFIES: [N][=C][Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]

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)

Molecular Properties:
- Polar Surface Area: 66.6 Ų
- LogP: 1.4