Carvedilol N’-Carbamate beta-D-Glucopyranuronic Acid

Analyte Name

Carvedilol N'-Carbamate beta-D-Glucopyranuronic Acid

CAS Number

216973-68-1

Molecular Formula

C31 H34 N2 O12

Molecular Weight

626.608

Accurate Mass

626.211

SMILES

COc1ccccc1OCCN(CC(O)COc2cccc3[nH]c4ccccc4c23)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

InChI

InChI=1S/C31H34N2O12/c1-41-21-10-4-5-11-22(21)42-14-13-33(31(40)45-30-27(37)25(35)26(36)28(44-30)29(38)39)15-17(34)16-43-23-12-6-9-20-24(23)18-7-2-3-8-19(18)32-20/h2-12,17,25-28,30,32,34-37H,13-16H2,1H3,(H,38,39)/t17?,25-,26-,27+,28-,30-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-[2-(2-methoxyphenoxy)ethyl]carbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat