(3aR,4S,7R,7aS)-2-(((1R,2R)-2-((4-(1,1-Dioxidobenzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

CAS: 1807607-99-3

Ref. TR-D486095

Product Information

• Name: (3aR,4S,7R,7aS)-2-(((1R,2R)-2-((4-(1,1-Dioxidobenzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
• Synonyms: Lurasidone Impurity 9
• Brand: TRC
• Description: Applications (3aR,4S,7R,7aS)-2-(((1R,2R)-2-((4-(1,1-Dioxidobenzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is an impurity of Lurasidone Hydrochloride (L474920), an antipsychotic used for treatment of schizophrenia.References Ishiyama, T., et al.: Eur. J. Pharmacol., 572, 160 (2007); Cole, P., et al.: Drugs of the Fut., 33, 316 (2008)

Chemical properties

• Molecular weight: 524.675
• Formula: C₂₈H₃₆N₄O₄S
• Color/Form: Neat
• InChI: InChI=1S/C28H36N4O4S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)37(35,36)29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
• InChI key: InChIKey=MAVBUKOHERNHBQ-CVTJIBDQSA-N
• SMILES: O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1