O-Desmethyl Tramadol Beta-D-Glucuronide (Mixture of Diastereomers)

Analyte Name

O-Desmethyl Tramadol Beta-D-Glucuronide (Mixture of Diastereomers)

CAS Number

383891-39-2

Molecular Formula

C21 H31 N O8

Molecular Weight

425.47

Accurate Mass

425.205

SMILES

CN(C)C[C@@H]1CCCC[C@@]1(O)c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c2

InChI

InChI=1S/C21H31NO8/c1-22(2)11-13-6-3-4-9-21(13,28)12-7-5-8-14(10-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5,7-8,10,13,15-18,20,23-25,28H,3-4,6,9,11H2,1-2H3,(H,26,27)/t13-,15-,16-,17+,18-,20+,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)