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Details

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

SHOW SMILES / InChI
Structure of ATOMOXETINE, (S)-

SMILES

CNCC[C@H](OC1=CC=CC=C1C)C2=CC=CC=C2

InChI

InChIKey=VHGCDTVCOLNTBX-KRWDZBQOSA-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/t17-/m0/s1

HIDE SMILES / InChI
Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:36:39 GMT 2025
Edited
by admin
on Wed Apr 02 05:36:39 GMT 2025
Record UNII
33ZZJ3T1SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATOMOXETINE, (S)-
Common Name English
(S)-N-METHYL-3-PHENYL-3-(O-TOLYLOXY)PROPAN-1-AMINE
Preferred Name English
(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Common Name English
ATOMOXETINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
(+)-TOMOXETINE
Common Name English
BENZENEPROPANAMINE, N-METHYL-.GAMMA.-(2-METHYLPHENOXY)-, (.GAMMA.S)-
Systematic Name English
S)-N-METHYL-3-(2-METHYLPHENOXY)-3-PHENYLPROPYLAMINE
Systematic Name English
ATOMOXETINE S-ISOMER
Common Name English
ATOMOXETINE S-ISOMER [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
33ZZJ3T1SC
Created by admin on Wed Apr 02 05:36:39 GMT 2025 , Edited by admin on Wed Apr 02 05:36:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID50147075
Created by admin on Wed Apr 02 05:36:39 GMT 2025 , Edited by admin on Wed Apr 02 05:36:39 GMT 2025
PRIMARY
PUBCHEM
6093336
Created by admin on Wed Apr 02 05:36:39 GMT 2025 , Edited by admin on Wed Apr 02 05:36:39 GMT 2025
PRIMARY
CAS
105314-53-2
Created by admin on Wed Apr 02 05:36:39 GMT 2025 , Edited by admin on Wed Apr 02 05:36:39 GMT 2025
PRIMARY
Related Record Type Details
Structure of Atomoxetine, (±)-
RACEMATE -> ENANTIOMER
Structure of ATOMOXETINE HYDROCHLORIDE, (S)-
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of Atomoxetine hydrochloride
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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