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Structure

3-O-Acetyl ezetimibe 2,3,4-tri-O-acetyl-beta-D-glucuronide methyl ester

CAS
190448-56-7
Catalog Number
ACM190448567
Category
Other Products
Molecular Weight
767.72
Molecular Formula
C39H39F2NO13

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Specification

Synonyms
4-[(2S,3R)-3-[(3S)-3-(Acetyloxy)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxo-2-azetidinyl]phenyl β-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate
IUPAC Name
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3R)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate
Canonical SMILES
CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCC(C5=CC=C(C=C5)F)OC(=O)C)C(=O)OC)OC(=O)C
InChI Key
NZXOBPVQKQLFNG-DDDXWAHESA-N
Appearance
White Solid
Exact Mass
767.23900
H-Bond Acceptor
15
H-Bond Donor
0
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