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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26F7NO3
Molecular Weight 545.4891
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (?S)-?-[(R)-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy][2-[(phenylmethyl)amino]ethoxy]methyl]-4-fluorobenzenemethanol

SMILES

C[C@@H](O[C@@H](OCCNCC1=CC=CC=C1)[C@@H](O)C2=CC=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=WNOXYQZLXAXCGG-HCOMASKESA-N
InChI=1S/C27H26F7NO3/c1-17(20-13-21(26(29,30)31)15-22(14-20)27(32,33)34)38-25(24(36)19-7-9-23(28)10-8-19)37-12-11-35-16-18-5-3-2-4-6-18/h2-10,13-15,17,24-25,35-36H,11-12,16H2,1H3/t17-,24+,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Benzenemethanol, ?-[(R)-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy][2-[(phenylmethyl)amino]ethoxy]methyl]-4-fluoro-, (?S)-
Preferred Name English
(?S)-?-[(R)-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy][2-[(phenylmethyl)amino]ethoxy]methyl]-4-fluorobenzenemethanol
Systematic Name English
Code System Code Type Description
FDA UNII
2GM54R38ZE
Created by admin on Wed Apr 02 17:11:13 GMT 2025 , Edited by admin on Wed Apr 02 17:11:13 GMT 2025
PRIMARY
PUBCHEM
101234233
Created by admin on Wed Apr 02 17:11:13 GMT 2025 , Edited by admin on Wed Apr 02 17:11:13 GMT 2025
PRIMARY
CAS
502537-35-1
Created by admin on Wed Apr 02 17:11:13 GMT 2025 , Edited by admin on Wed Apr 02 17:11:13 GMT 2025
PRIMARY