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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,3S)-

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-FJNPEDAXSA-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
2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2R,3S)-
Systematic Name English
Aprepitant M2 metabolite (1S, 2R, 3S)-isomer
Common Name English
(2R,3S)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Systematic Name English
Morpholine, 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, [2R-[2α(S*),3α]]-
Systematic Name English
Morpholine, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
22860713
Created by admin on Sat Dec 16 19:47:17 GMT 2023 , Edited by admin on Sat Dec 16 19:47:17 GMT 2023
PRIMARY
CAS
170729-79-0
Created by admin on Sat Dec 16 19:47:17 GMT 2023 , Edited by admin on Sat Dec 16 19:47:17 GMT 2023
PRIMARY
FDA UNII
GJ4PPE9PZS
Created by admin on Sat Dec 16 19:47:17 GMT 2023 , Edited by admin on Sat Dec 16 19:47:17 GMT 2023
PRIMARY