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Ezetimibe-[13C6]

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General Information
Catalog: BLP-005426
CAS: 438624-68-1
Molecular Formula: C18[13C]6H21F2NO3
Molecular Weight: 415.38

Chemical Structure

Description	Ezetimibe-[13C6] is the labelled analogue 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 13C6; 1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-hydroxy(13C6)phenyl]azetidin-2-one; (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl-13C6)-2-azetidinone
IUPAC Name	(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
Related CAS	1376614-99-1 (unlabelled)
Isomeric SMILES	C1=CC(=CC=C1[C@H](CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)[13C]4=[13CH][13CH]=[13C]([13CH]=[13CH]4)O)O)F
Canonical SMILES	C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O
InChI	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1/i3+1,4+1,11+1,12+1,16+1,20+1
InChI Key	OLNTVTPDXPETLC-OGKRFXRMSA-N
Melting Point	>151°C (dec.)
Purity	96% by CP; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C