Products 1688661-95-1

CAS 1688661-95-1 is the registry number for (S,S)Deutetrabenazine metabolite M4. Offered by: TRC. Available pack sizes: 10mg.

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

(3R,11bR)-3-(2-hydroxy-2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CAS 1688661-95-1) is a chemical compound with the molecular formula C19H27NO4 and a molecular weight of 339.5 g/mol. IUPAC name: (3R,11bR)-3-(2-hydroxy-2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one. InChIKey: WSSKRNHJTRPOTQ-WXIDZIMUSA-N.

Identity
Molecular formulaC19H27NO4
Molecular weight339.5 g/mol
IUPAC name(3R,11bR)-3-(2-hydroxy-2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChIKeyWSSKRNHJTRPOTQ-WXIDZIMUSA-N
SMILES[2H]C([2H])([2H])OC1=C(C=C2[C@H]3CC(=O)[C@@H](CN3CCC2=C1)CC(C)(C)O)OC([2H])([2H])[2H]

Computed by PubChem (NCBI)