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Chemical structure of Lurasidone HCl

GC17593

Lurasidone HCl

Also known as (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;hydrochloride

Lurasidone (Hydrochloride) (SM-13496 (Hydrochloride)) is an antagonist of both dopamine D2 and 5-HT7 with IC50s of 1·68 and 0·495 nM, respectively

ChemicalCAS367514-88-3MW529.14FormulaC28H37ClN4O2S
CAS number
367514-88-3
Molecular weight
529.14
Formula
C28H37ClN4O2S
Solubility
≥ 11·11mg/mL in DMSO with gentle warming
InChIKey
NEKCRUIRPWNMLK-SCIYSFAVSA-N
Catalogue number
GC17593
Brand
GLPBIO
Computed properties PubChem CID 11237860 · TPSA 85 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
85 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36

SMILES C1CC[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.Cl

Computed descriptors from PubChem (CID 11237860), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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