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3-O-Acetyl Ezetimibe-[d4]

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General Information
Catalog: BLP-002781
CAS: 1217642-08-4
Molecular Formula: C26H19D4F2NO4
Molecular Weight: 455.49

Chemical Structure

Description	3-O-Acetyl Ezetimibe-[d4] is the labelled analogue of 3-O-Acetyl Ezetimibe, which is an impurity of Ezetimibe. Ezetimibe inhibits intestinal cholesterol absorption by preventing cholesterol uptake by the Niemann-Pick C1-like 1 (NPC1L4) protein, a cholesterol transporter located in the apical membrane of enterocytes.
Synonyms	3-O-Acetyl Ezetimibe D4; (3R,4S)-3-[(3S)-3-(Acetyloxy)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl-d4)-4-(4-hydroxyphenyl)-2-azetidinone
IUPAC Name	[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-2-(4-hydroxyphenyl)-4-oxo-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-3-yl]propyl] acetate
Related CAS	1044664-24-5 (unlabelled)
Canonical SMILES	CC(=O)OC(CCC1C(N(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F
InChI	InChI=1S/C26H23F2NO4/c1-16(30)33-24(17-2-6-19(27)7-3-17)15-14-23-25(18-4-12-22(31)13-5-18)29(26(23)32)21-10-8-20(28)9-11-21/h2-13,23-25,31H,14-15H2,1H3/t23-,24+,25-/m1/s1/i8D,9D,10D,11D
InChI Key	HFQRXXWTCQBULQ-RXBMDDDJSA-N
Solubility	Soluble in Dichloromethane
Appearance	Off-white Solid