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

Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO
Molecular Weight 255.3547
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Atomoxetine, (±)-

SMILES

CNCCC(OC1=CC=CC=C1C)C2=CC=CC=C2

InChI

InChIKey=VHGCDTVCOLNTBX-UHFFFAOYSA-N
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:42 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:42 GMT 2025
Record UNII
7XUS3ZJ4WB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Atomoxetine, (±)-
Common Name English
(±)-Tomoxetine
Preferred Name English
N-Methyl-3-(2-methylphenoxy)-3-phenylpropylamine
Systematic Name English
rac Atomoxetine
Common Name English
Benzenepropanamine, N-methyl-?-(2-methylphenoxy)-
Systematic Name English
N-Methyl-?-(2-methylphenoxy)benzenepropanamine
Systematic Name English
Code System Code Type Description
CAS
63940-51-2
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY
FDA UNII
7XUS3ZJ4WB
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY
PUBCHEM
6850813
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT