Molecule ID: 13726064

IUPAC Name: (5R,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

Description: The molecule is a dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of ureas, a diol and a dibenzoazepine.

SMILES: N=C(O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21

SELFIES: [N][=C][Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]

InChI: InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 86.8 Ų
- LogP: 0.3