Molecule ID: 70678853

IUPAC Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;dihydrochloride

Description: The molecule is a hydrate that is the hemihydrate form of lorcaserin hydrochloride. Used as an anti-obesity drug. It has a role as an appetite depressant and a serotonergic agonist. It contains a lorcaserin hydrochloride.

SMILES: C[C@H]1CNCCc2ccc(Cl)cc21.C[C@H]1CNCCc2ccc(Cl)cc21.Cl.Cl.O

SELFIES: [C][C@H1][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N].[C][C@H1][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N].[Cl].[Cl].[O]

InChI: InChI=1S/2C11H14ClN.2ClH.H2O/c2*1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;;;/h2*2-3,6,8,13H,4-5,7H2,1H3;2*1H;1H2/t2*8-;;;/m00.../s1

Molecular Properties:
- Polar Surface Area: 25.1 Ų
- LogP: nan