Analyte Name

Keto-Ezetimibe-d4 beta-D-Glucuronide

Molecular Formula

C30 D4 H23 F2 N O9

Molecular Weight

587.558

Accurate Mass

587.19

SMILES

[2H]c1c([2H])c(N2[C@@H]([C@@H](CCC(=O)c3ccc(F)cc3)C2=O)c4ccc(O[C@H]5O[C@H]([C@H](O)[C@@H](O)[C@@H]5O)C(=O)O)cc4)c([2H])c([2H])c1F

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/i7D,8D,9D,10D

IUPAC

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

Unlabelled CAS Number

861404-71-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat