Products 2070009-33-3

CAS 2070009-33-3 is the registry number for Lurasidone Metabolite 14326-d8. Offered by: Chemat Brand. Available pack sizes: on request.

Lurasidone Metabolite 14326-d8
Chemat Brand
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  • Variants: 1
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(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 (CAS 2070009-33-3) is a chemical compound with the molecular formula C28H36N4O3S and a molecular weight of 516.7 g/mol. IUPAC name: (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. InChIKey: JVTNTCYRWHASTQ-QJKOTDNASA-N.

Identity
Molecular formulaC28H36N4O3S
Molecular weight516.7 g/mol
IUPAC name(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
InChIKeyJVTNTCYRWHASTQ-QJKOTDNASA-N
SMILES[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@H]4[C@H]5C[C@@H]([C@H]4C3=O)[C@H](C5)O)([2H])[2H])([2H])[2H])C6=NSC7=CC=CC=C76)([2H])[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Lurasidone Metabolite 14326 D8, Lurasidone Inactive Metabolite 14326-d8, 5a/6a-Hydroxy Lurasidone-D8, orb1987488, orb2280881
Related forms of this compound
(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
Isomers (same molecular formula)
(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
(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 C28H36N4O3S