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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20F7NO3
Molecular Weight 455.3665
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OOWHJXHLOMLHQO-CNOZUTPLSA-N
InChI=1S/C20H20F7NO3/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)31-18(30-7-6-28)17(29)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,29H,6-7,28H2,1H3/t11-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20F7NO3
Molecular Weight 455.3665
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 16:57:56 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:56 GMT 2025
Record UNII
EYZ2J37PQL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,2R)-1-(4-Fluorophenyl)-2-[(R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(2-aminoethoxy)ethanol
Preferred Name English
(?S)-?-[(R)-(2-Aminoethoxy)[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-fluorobenzenemethanol
Systematic Name English
Benzenemethanol, ?-[(R)-(2-aminoethoxy)[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-fluoro-, (?S)-
Systematic Name English
Code System Code Type Description
CAS
502537-39-5
Created by admin on Wed Apr 02 16:57:56 GMT 2025 , Edited by admin on Wed Apr 02 16:57:56 GMT 2025
PRIMARY
PUBCHEM
101234234
Created by admin on Wed Apr 02 16:57:56 GMT 2025 , Edited by admin on Wed Apr 02 16:57:56 GMT 2025
PRIMARY
FDA UNII
EYZ2J37PQL
Created by admin on Wed Apr 02 16:57:56 GMT 2025 , Edited by admin on Wed Apr 02 16:57:56 GMT 2025
PRIMARY
Related Record Type Details
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