Catalog Number:
AG00ANAW
Chemical Name:
Lurasidone Inactive Metabolite 14283
CAS Number:
186204-32-0
Molecular Formula:
C28H37ClN4O3S
Molecular Weight:
545.1364
MDL Number:
MFCD31692427
IUPAC Name:
(1S,2S,6R,7S,8R)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione;hydrochloride
InChI:
InChI=1S/C28H36N4O3S.ClH/c33-22-14-19-13-21(22)25-24(19)27(34)32(28(25)35)16-18-6-2-1-5-17(18)15-30-9-11-31(12-10-30)26-20-7-3-4-8-23(20)36-29-26;/h3-4,7-8,17-19,21-22,24-25,33H,1-2,5-6,9-16H2;1H/t17-,18-,19-,21+,22+,24-,25+;/m0./s1
InChI Key:
WLCWVTUFTGBTDA-HRKUQYLCSA-N
SMILES:
O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@H]2C(=O)N(C1=O)C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2c1cccc2.Cl
