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(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone [Aprepitant-M3]

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For Research Use Only | Not For Clinical Use
CATAPS419574042
CAS419574-04-2
Structure
IUPAC Name(5S,6R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)morpholin-3-one
Molecular Weight451.33
Molecular FormulaC20H16F7NO3
Canonical SMILESC[C@@H](O[C@H]1OCC(=O)N[C@H]1c2ccc(F)cc2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H16F7NO3/c1-10(12-6-13(19(22,23)24)8-14(7-12)20(25,26)27)31-18-17(28-16(29)9-30-18)11-2-4-15(21)5-3-11/h2-8,10,17-18H,9H2,1H3,(H,28,29)/t10-,17+,18-/m1/s1
Accurate Mass451.1018
FormatNeat
SubcategoryAntiemetics
TypeImpurity
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