atomoxetine   Click here for help

GtoPdb Ligand ID: 7118

Synonyms: LY-139603 | Strattera®
Approved drug
atomoxetine is an approved drug (FDA (2002))
Compound class: Synthetic organic
Comment: Atomoxetine is primarily a norepinephrine (noradrenaline) reuptake inhibitor (NRI), with weak inhibitory effects on SERT (serotonin reuptake), and DAT (dopamine reuptake).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 21.26
Molecular weight 255.16
XLogP 3.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CNCCC(c1ccccc1)Oc1ccccc1C
Isomeric SMILES CNCC[C@H](c1ccccc1)Oc1ccccc1C
InChI 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-/m1/s1
InChI Key VHGCDTVCOLNTBX-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name Click here for help
methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine
International Nonproprietary Names Click here for help
INN number INN
5354 atomoxetine
Synonyms Click here for help
LY-139603 | Strattera®
Database Links Click here for help
CAS Registry No. 83015-26-3
ChEMBL Ligand CHEMBL641
DrugBank Ligand DB00289
DrugCentral Ligand 256
GtoPdb PubChem SID 178103695
PubChem CID 54841
Search Google for chemical match using the InChIKey VHGCDTVCOLNTBX-QGZVFWFLSA-N
Search Google for chemicals with the same backbone VHGCDTVCOLNTBX
Search PubMed clinical trials atomoxetine
Search PubMed titles atomoxetine
Search PubMed titles/abstracts atomoxetine
Search UniChem for chemical match using the InChIKey VHGCDTVCOLNTBX-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone VHGCDTVCOLNTBX
Wikipedia Atomoxetine