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2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-[d2]

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2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-[d2]

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General Information
Catalog: BLP-007821
CAS: 1217645-68-5
Molecular Formula: C20H16D2F7NO2
Molecular Weight: 439.36

Chemical Structure

Description	2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-[d2] is an isotope labelled metabolite of Aprepitant, a novel selective neurokinin-1 (NK-1) receptor antagonist.
Synonyms	(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine-d2; Aprepitant-M2-d2
IUPAC Name	(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholine
Related CAS	171338-27-5 (unlabelled)
Canonical SMILES	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NCCO2)C3=CC=C(C=C3)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/i1D,11D
InChI Key	AFBDSAJOMZYQAI-GDFYXYLSSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	Yellow Oil