trans-Dihydrotetrabenazine Glucuronide-d6

Analyte Name

trans-Dihydrotetrabenazine Glucuronide-d6

Molecular Formula

C25 D6 H31 N O9

Molecular Weight

501.6

Accurate Mass

501.284

SMILES

[2H]C([2H])([2H])Oc1cc2CCN3C[C@H](CC(C)C)[C@H](C[C@H]3c2cc1OC([2H])([2H])[2H])O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O

InChI

InChI=1S/C25H37NO9/c1-12(2)7-14-11-26-6-5-13-8-18(32-3)19(33-4)9-15(13)16(26)10-17(14)34-25-22(29)20(27)21(28)23(35-25)24(30)31/h8-9,12,14,16-17,20-23,25,27-29H,5-7,10-11H2,1-4H3,(H,30,31)/t14-,16-,17-,20-,21-,22+,23-,25+/m0/s1/i3D3,4D3

IUPAC

(2S,3S,4S,5R,6R)-6-[[(2S,3S,11bS)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat