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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18F7NO2
Molecular Weight 437.3512
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2R,3R)-

SMILES

C[C@H](O[C@H]1OCCN[C@@H]1C2=CC=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=AFBDSAJOMZYQAI-UZCIPKQKSA-N
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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Aprepitant M2 metabolite (1S, 2R, 3R)-isomer
Preferred Name English
2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2R,3R)-
Systematic Name English
Morpholine, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3R)-
Systematic Name English
(2R,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Systematic Name English
Code System Code Type Description
FDA UNII
Y8SU3H5YCR
Created by admin on Wed Apr 02 17:30:09 GMT 2025 , Edited by admin on Wed Apr 02 17:30:09 GMT 2025
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CAS
1242175-36-5
Created by admin on Wed Apr 02 17:30:09 GMT 2025 , Edited by admin on Wed Apr 02 17:30:09 GMT 2025
PRIMARY
PUBCHEM
46868137
Created by admin on Wed Apr 02 17:30:09 GMT 2025 , Edited by admin on Wed Apr 02 17:30:09 GMT 2025
PRIMARY