2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine[Aprepitant-M2]
Product Code
TRC-B657150
CAS Number
Product Format
Neat
Molecular Formula
C20 H18 F7 N O2
Molecular Weight
437.35
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
CAS Number
171338-27-5
Molecular Formula
C20 H18 F7 N O2
Molecular Weight
437.35
Accurate Mass
437.1226
SMILES
C[C@@H](O[C@H]1OCCN[C@H]1c2ccc(F)cc2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1
IUPAC
(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Product Description
A metabolite of Aprepitant.
References: Ballard, T., et al.: Eur. J. Pharmacol., 412, 255