Analyte Name

Valbenazine-d6

CAS Number

1621141-03-4

Molecular Formula

C24 D6 H32 N2 O4

Molecular Weight

424.606

Accurate Mass

424.321

SMILES

[2H]C([2H])([2H])Oc1cc2CCN3C[C@@H](CC(C)C)[C@@H](C[C@@H]3c2cc1OC([2H])([2H])[2H])OC(=O)[C@@H](N)C(C)C

InChI

InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1/i5D3,6D3

IUPAC

[(2R,3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat