3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-Beta-D-glucuronide Methyl Ester
Product Code
TRC-A173800
CAS Number
Product Format
Neat
Molecular Formula
C39 H39 F2 N O13
Molecular Weight
767.72
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-Beta-D-glucuronide Meth
CAS Number
190448-56-7
Molecular Formula
C39 H39 F2 N O13
Molecular Weight
767.72
Accurate Mass
767.2389
SMILES
COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]3[C@@H](CC[C@H](OC(=O)C)c4ccc(F)cc4)C(=O)N3c5ccc(F)cc5)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
InChI
InChI=1S/C39H39F2NO13/c1-20(43)50-31(24-6-10-26(40)11-7-24)19-18-30-32(42(37(30)47)28-14-12-27(41)13-15-28)25-8-16-29(17-9-25)54-39-36(53-23(4)46)34(52-22(3)45)33(51-21(2)44)35(55-39)38(48)49-5/h6-17,30-36,39H,18-19H2,1-5H3/t30-,31+,32-,33+,34+,35+,36-,39-/m1/s1
IUPAC
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Product Description
Intermediate in the preparation of Phase-II metabolites of Ezetimibe. Glucuronide azetidinone cholesterol absorption inhibitor.
References: Mutlib, A., et al.: Drug Metab. Dispos., 20, 451 (1992),
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