Analyte Name

Keto-Ezetimibe beta-D-Glucuronide

CAS Number

861404-71-9

Molecular Formula

C30 H27 F2 N O9

Molecular Weight

583.534

Accurate Mass

583.165

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)[C@@H]3[C@@H](CCC(=O)c4ccc(F)cc4)C(=O)N3c5ccc(F)cc5)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C30H27F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21,23-27,30,35-37H,13-14H2,(H,39,40)/t21-,23-,24+,25+,26-,27+,30-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat