Lurasidone Sulfoxide

cas: 1809325-45-8 — see every product listed under this CAS number, including other names

Lurasidone Sulfoxide (CAS 1809325-45-8) is a chemical reagent available from Chemat. Available pack sizes: on request, 50mg, 25mg. Offered by: Chemat Brand, Biosynth.

brandChemat Brand
catalog numberRM-L181931
cas1809325-45-8
sizeon request
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Structural formula: {0} (CAS {1})

(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CAS 1809325-45-8) is a chemical compound with the molecular formula C28H36N4O3S and a molecular weight of 508.7 g/mol. IUPAC name: (1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione. InChIKey: MDYJLJKDGQUHSJ-HTWOXQOSSA-N.

Identity
Molecular formulaC28H36N4O3S
Molecular weight508.7 g/mol
IUPAC name(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
InChIKeyMDYJLJKDGQUHSJ-HTWOXQOSSA-N
SMILESC1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NS(=O)C4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O

Computed by PubChem (NCBI)

Synonyms: Lurasidone Sulfoxide, Lurasidone metabolite M10, Lurasidone Impurity 11
Isomers (same molecular formula)
(1S,2S,6R,7S,8S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]methyl]cyclohexyl]methyl]-8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione C28H36N4O3S
(1S,2R,6S,7R)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)-1-oxidopiperazin-1-ium-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione C28H36N4O3S
(1S,2S,6R,7S,8S)-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 C28H36N4O3S
(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 C28H36N4O3S

Also listed as

Lurasidone Impurity 80 Chemat Brand CAS 1809325-45-8
Lurasidone Impurity 10 Hubei YoungXin CAS 1809325-45-8
Lurasidone Sulfoxide, >95% (HPLC) TRC CAS 1809325-45-8