Analyte Name

(+)-beta-Dihydrotetrabenazine-13C2D6

Molecular Formula

13C2 C17 D6 H23 N O3

Molecular Weight

327.461

Accurate Mass

327.259

SMILES

[2H][13C]([2H])([2H])Oc1cc2CCN3C[C@@H](CC(C)C)[C@@H](O)C[C@@H]3c2cc1O[13C]([2H])([2H])[2H]

InChI

InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17+/m1/s1/i3+1D3,4+1D3

IUPAC

(2S,3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuterio(113C)methoxy)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

Unlabelled CAS Number

924854-60-4

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat