atomoxetine   

GtoPdb Ligand ID: 7118

Synonyms: LY-139603 | Strattera®
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).
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine
International Nonproprietary Names
INN number INN
5354 atomoxetine
Synonyms
LY-139603 | Strattera®
Database Links
CAS Registry No. 83015-26-3
ChEMBL Ligand CHEMBL641
DrugBank Ligand DB00289
DrugCentral Ligand 256
GtoPdb PubChem SID 178103695
PubChem CID 54841
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Wikipedia Atomoxetine