Analyte Name

Methocarbamol-d5 beta-D-Glucuronide

Molecular Formula

C17 D5 H18 N O11

Molecular Weight

422.395

Accurate Mass

422.158

SMILES

[2H]C([2H])(OC(=O)N)C([2H])(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C([2H])([2H])Oc2ccccc2OC

InChI

InChI=1S/C17H23NO11/c1-25-9-4-2-3-5-10(9)26-6-8(7-27-17(18)24)28-16-13(21)11(19)12(20)14(29-16)15(22)23/h2-5,8,11-14,16,19-21H,6-7H2,1H3,(H2,18,24)(H,22,23)/t8?,11-,12-,13+,14-,16+/m0/s1/i6D2,7D2,8D

IUPAC

(2S,3S,4S,5R,6R)-6-[1-carbamoyloxy-1,1,2,3,3-pentadeuterio-3-(2-methoxyphenoxy)propan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

56305-74-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat