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Ezetimibe Hydroxy β-D-Glucuronide-[d4]

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General Information
Catalog: BLP-005428
CAS: 1426174-14-2
Molecular Formula: C30H25D4F2NO9
Molecular Weight: 589.57

Chemical Structure

Description	Ezetimibe Hydroxy β-D-Glucuronide-[d4] is the labelled analogue of Ezetimibe Phenoxy Glucuronide, which is a metabolite of Ezetimibe. Ezetimibe is a medication used to treat high blood cholesterol and certain other lipid abnormalities. Ezetimibe inhibits intestinal cholesterol absorption by preventing cholesterol uptake by the Niemann-Pick C1-like 1 (NPC1L1) protein, a cholesterol transporter located in the apical membrane of enterocytes.
Synonyms	Ezetimibe Hydroxy-d4 β-D-Glucuronide
IUPAC Name	(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
Related CAS	536709-33-8 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)OC5C(C(C(C(O5)C(=O)O)O)O)O)O
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
InChI Key	MPXLJVWGRVISEQ-MKSNJYNSSA-N
Purity	95% by CP; 98% atom D
Solubility	Soluble in DMSO, Methanol, Water
Storage	Store at -20°C, Under inert atmosphere