Analyte Name

O-Desmethyl Carvedilol-d5 beta-D-Glucuronide

Molecular Formula

C29 D5 H27 N2 O10

Molecular Weight

573.603

Accurate Mass

573.237

SMILES

[2H]C([2H])(NCCOc1ccccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C([2H])(O)C([2H])([2H])Oc3cccc4[nH]c5ccccc5c34

InChI

InChI=1S/C29H32N2O10/c32-16(15-39-22-11-5-8-19-23(22)17-6-1-2-7-18(17)31-19)14-30-12-13-38-20-9-3-4-10-21(20)40-29-26(35)24(33)25(34)27(41-29)28(36)37/h1-11,16,24-27,29-35H,12-15H2,(H,36,37)/t16?,24-,25-,26+,27-,29+/m0/s1/i14D2,15D2,16D

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

142227-50-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat