Ezetimibe Hydroxy Beta-D-Glucuronide

Analyte Name

Ezetimibe Hydroxy Beta-D-Glucuronide

CAS Number

536709-33-8

Molecular Formula

C30 H29 F2 N O9

Molecular Weight

585.55

Accurate Mass

585.181

SMILES

O[C@@H]1[C@@H](O)[C@H](O[C@@H](CC[C@@H]2[C@H](N(C2=O)c3ccc(F)cc3)c4ccc(O)cc4)c5ccc(F)cc5)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(41-30-26(37)24(35)25(36)27(42-30)29(39)40)14-13-21-23(16-3-11-20(34)12-4-16)33(28(21)38)19-9-7-18(32)8-10-19/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propoxy]-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

API Family

Ezetimibe

Purity

>95% (HPLC)