Molecule ID: 166589

IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrate;dihydrochloride

Description: The molecule is a hydrate that is the monohydrate of the dihydrochloride salt of pramiprexole. It has a role as a dopamine agonist and an antiparkinson drug. It contains a member of pramipexole hydrochloride anhydrous and a pramipexole(2+).

SMILES: CCCN[C@H]1CCc2[nH]c(=N)sc2C1.Cl.Cl.O

SELFIES: [C][C][C][N][C@H1][C][C][C][NH1][C][=Branch1][C][=N][S][C][=Ring1][=Branch1][C][Ring1][#Branch2].[Cl].[Cl].[O]

InChI: InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m0.../s1

Molecular Properties:
- Polar Surface Area: 80.2 Ų
- LogP: nan