Analyte Name

4-Hydroxy-3-methoxy Methamphetamine-d3 4-beta-D-Glucuronide Sodium (Mixture of Diastereomers)

Molecular Formula

C17 H21 D3 N O8 . Na

Molecular Weight

396.38

Accurate Mass

396.15

SMILES

O[C@@H]([C@H](O)[C@H]1O)[C@@H](C(O[Na])=O)O[C@H]1OC2=CC=C(CC(NC([2H])([2H])[2H])C)C=C2OC

InChI

InChI=1S/C17H25NO8.Na/c1-8(18-2)6-9-4-5-10(11(7-9)24-3)25-17-14(21)12(19)13(20)15(26-17)16(22)23;/h4-5,7-8,12-15,17-21H,6H2,1-3H3,(H,22,23);/q;+1/p-1/t8?,12-,13-,14+,15-,17+;/m0./s1/i2D3;

IUPAC

[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-[2-(trideuteriomethylamino)propyl]phenoxy]tetrahydropyran-2-carbonyl]oxysodium

Unlabelled CAS Number

146367-87-5

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat