Tapentadol O-Beta-D-Glucuronide (1.0mg/ml in Methanol)

Analyte Name

Tapentadol-beta-D-glucuronide

CAS Number

1300037-86-8

Molecular Formula

C20 H31 N O7

Molecular Weight

397.46

Measured Value

1.0 mg/mL

Accurate Mass

397.2101

SMILES

CC[C@H]([C@@H](C)CN(C)C)c1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c1

InChI

InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol