Hydroxy Pioglitazone (M-IV) beta-D-Glucuronide

Analyte Name

(2S,3S,4S,5R,6R)-6-[1-[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]pyridin-3-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Number

625853-76-1

Molecular Formula

C25 H28 N2 O10 S

Molecular Weight

548.562

Accurate Mass

548.146

SMILES

CC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2ccc(CCOc3ccc(CC4SC(=O)NC4=O)cc3)nc2

InChI

InChI=1S/C25H28N2O10S/c1-12(36-24-20(30)18(28)19(29)21(37-24)23(32)33)14-4-5-15(26-11-14)8-9-35-16-6-2-13(3-7-16)10-17-22(31)27-25(34)38-17/h2-7,11-12,17-21,24,28-30H,8-10H2,1H3,(H,32,33)(H,27,31,34)/t12?,17?,18-,19-,20+,21-,24+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[1-[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]pyridin-3-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat