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Ezetimibe-[N-(4-fluorophenyl-d4)]

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General Information
Catalog: BLP-012350
CAS: 1093659-90-5
Molecular Formula: C24H17D4F2NO3
Molecular Weight: 413.45

Chemical Structure

Description	Ezetimibe-[N-(4-fluorophenyl-d4)] is the labelled analogue of Ezetimibe, which is a cholesterol absorption inhibitor.
Synonyms	Ezetimibe-d4 [N-(4-fluorophenyl-d4)]; Ezetimibe-d4; Ezetimibe D4 (Fluoroaniline-d4); (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone-d4; (3R,4S)-1-(4-fluorophenyl-2,3,5,6-d4)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
IUPAC Name	(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-2-one
Related CAS	163222-33-1 (unlabelled)
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/i7D,8D,9D,10D
InChI Key	OLNTVTPDXPETLC-ARVCERDTSA-N
Boiling Point	654.9±55.0 °C at 760 mmHg
Melting Point	152-154°C
Purity	≥95%
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Ethyl Acetate, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C