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Ezetimibe Diacetate-[d4]

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General Information
Catalog: BLP-005429
CAS: 1217861-13-6
Molecular Formula: C28H21D4F2NO5
Molecular Weight: 497.52

Chemical Structure

Description	Ezetimibe Diacetate-[d4] is the labelled analogue of Ezetimibe Diacetate, which is a derivative 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	(3R,4S)-3-[(3S)-3-(Acetyloxy)-3-(4-fluorophenyl)propyl]-4-[4-(acetyloxy)phenyl]-1-(4-fluorophenyl-d4)-2-azetidinone; Ezetimibe-d4 Diacetate
IUPAC Name	[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-4-oxo-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-2-yl]phenyl] acetate
Related CAS	163380-20-9 (unlabelled)
Canonical SMILES	CC(=O)OC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)OC(=O)C
InChI	InChI=1S/C28H25F2NO5/c1-17(32)35-24-13-5-20(6-14-24)27-25(28(34)31(27)23-11-9-22(30)10-12-23)15-16-26(36-18(2)33)19-3-7-21(29)8-4-19/h3-14,25-27H,15-16H2,1-2H3/t25-,26+,27-/m1/s1/i9D,10D,11D,12D
InChI Key	DCEGDCNFJOXKQY-MDTCGDLBSA-N
Boiling Point	647.5±55.0°C at 760 mmHg
Density	1.3±0.1 g/cm3
Solubility	Soluble in Dichloromethane
Appearance	Off-white Solid
Storage	Store at 2-8°C