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Chemical structure of Lurasidone Metabolite 14283 hydrochloride

GC33672

Lurasidone Metabolite 14283 hydrochloride

Also known as (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

Lurasidone Metabolite 14283 hydrochloride is a major active metabolite of Lurasidone

ChemicalCAS186204-32-0MW545.14FormulaC28H37ClN4O3S
CAS number
186204-32-0
Molecular weight
545.14
Formula
C28H37ClN4O3S
Solubility
Ethanol ： 100 mg/mL (183·44 mM)
InChIKey
WLCWVTUFTGBTDA-HRKUQYLCSA-N
Catalogue number
GC33672
Brand
GLPBIO
Computed properties PubChem CID 129011992 · TPSA 105 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
105 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
37

SMILES C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@H]7C[C@@H]([C@H]6C5=O)[C@@H](C7)O.Cl

Computed descriptors from PubChem (CID 129011992), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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