U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H24F7NO2.ClH
Molecular Weight 563.935
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

Cl.C[C@@H](O[C@H]1OCCN(CC2=CC=CC=C2)[C@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=BZQVUGFKUGRXJT-BPRFSPGLSA-N
InChI=1S/C27H24F7NO2.ClH/c1-17(20-13-21(26(29,30)31)15-22(14-20)27(32,33)34)37-25-24(19-7-9-23(28)10-8-19)35(11-12-36-25)16-18-5-3-2-4-6-18;/h2-10,13-15,17,24-25H,11-12,16H2,1H3;1H/t17-,24+,25-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H24F7NO2
Molecular Weight 527.4738
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:59 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:59 GMT 2025
Record UNII
ABG6DBC2X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-(phenylmethyl)-, hydrochloride (1:1), (2R,3S)-
Preferred Name English
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-(phenylmethyl)morpholine hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
57370810
Created by admin on Wed Apr 02 17:45:59 GMT 2025 , Edited by admin on Wed Apr 02 17:45:59 GMT 2025
PRIMARY
CAS
2377328-02-2
Created by admin on Wed Apr 02 17:45:59 GMT 2025 , Edited by admin on Wed Apr 02 17:45:59 GMT 2025
PRIMARY
FDA UNII
ABG6DBC2X6
Created by admin on Wed Apr 02 17:45:59 GMT 2025 , Edited by admin on Wed Apr 02 17:45:59 GMT 2025
PRIMARY