Analyte Name

Ezetimibe Hydroxy-d4 beta-D-Glucuronide

CAS Number

1426174-14-2

Molecular Formula

C30 D4 H25 F2 N O9

Molecular Weight

589.574

Accurate Mass

589.206

SMILES

[2H]c1c([2H])c(N2[C@@H]([C@@H](CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccc(F)cc4)C2=O)c5ccc(O)cc5)c([2H])c([2H])c1F

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/i7D,8D,9D,10D

IUPAC

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

Unlabelled CAS Number

536709-33-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat