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).
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name Click here for help
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
DrugBank Ligand DB00289
DrugCentral Ligand 256
GtoPdb PubChem SID 178103695
PubChem CID 54841
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UniChem Compound Search for chemical match using the InChIKey VHGCDTVCOLNTBX-QGZVFWFLSA-N
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Wikipedia Atomoxetine