Products 367514-87-2

CAS 367514-87-2 appears in our catalog under these names: Lurasidone, 95%, Lurasidone, Lurasidone, >95% (HPLC), Lurasidone/ 99.5% (existing batch purity), Lurasidone (SM–13496). Offered by: Combi-blocks, Hubei YoungXin, TRC, TargetMol, GLPBio. Available pack sizes: 1g, 5g, 250mg, 10mg, 25mg, 50mg, 100mg, 200mg.

Structural formula: {0} (CAS {1})

Lurasidone is an N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. It has a role as an adrenergic antagonist, a serotonergic antagonist, a dopaminergic antagonist and a second generation antipsychotic. It is a dicarboximide, a bridged compound, a N-arylpiperazine and a 1,2-benzisothiazole. It is functionally related to a maleimide. It is a conjugate base of a lurasidone(1+).

Source: ChEBI

Identity
Molecular formulaC28H36N4O2S
Molecular weight492.7 g/mol
IUPAC name(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
InChIKeyPQXKDMSYBGKCJA-CVTJIBDQSA-N
SMILESC1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O

Computed by PubChem (NCBI)