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Ezetimibe-d4

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For Research Use Only | Not For Clinical Use
CATAPS1093659905
CAS1093659-90-5
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
Molecular Weight413.45
Molecular FormulaC242H4H17F2NO3
Canonical SMILES[2H]c1c([2H])c(N2[C@@H]([C@@H](CC[C@H](O)c3ccc(F)cc3)C2=O)c4ccc(O)cc4)c([2H])c([2H])c1F
InChIInChI=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
Accurate Mass413.1741
FormatNeat
SubcategoryEnzyme inhibitors, Stable isotope labelled compounds
TypeStable Isotope Labelled
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