Molecule ID: 10467350

IUPAC Name: 2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

Description: The molecule is a benzazepine metabolite resulting from demethylation of the antidpressant, mirtazapine. It has a role as a human xenobiotic metabolite, an alpha-adrenergic antagonist, an anxiolytic drug, a H1-receptor antagonist, a histamine antagonist and a serotonergic antagonist. It is a tetracyclic antidepressant and a benzazepine.

SMILES: c1ccc2c(c1)Cc1cccnc1N1CCNCC21

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][S][Ring1][=Branch1]

InChI: InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2

Molecular Properties:
- Polar Surface Area: 28.2 Ų
- LogP: 2.8