<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2779</id>
  <title>T3D2737</title>
  <common-name>Atomoxetine</common-name>
  <description>Atomoxetine is the first non-stimulant drug approved for the treatment of attention-deficit hyperactivity disorder (ADHD). It is sold in the form of the hydrochloride salt of atomoxetine. This chemical is manufactured and marketed under the brand name Strattera; by Eli Lilly and Company and as a generic Attentin by Torrent Pharmaceuticals. There is currently no generic available within the United States due to patent restrictions.</description>
  <cas>82248-59-7</cas>
  <pubchem-id>54841</pubchem-id>
  <chemical-formula>C17H21NO</chemical-formula>
  <weight>255.162310</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>27.8 mg/mL</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Atomoxetine is rapidly absorbed after oral administration, with absolute bioavailability of about 63% in EMs and 94% in PMs. Drugs that elevate gastric pH (magnesium hydroxide/aluminum hydroxide, omeprazole) have no effect on atomoxetine bioavailability. Absorption is minimally affected by food.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The precise mechanism by which atomoxetine produces its therapeutic effects in Attention-Deficit/Hyperactivity Disorder (ADHD) is unknown, but is thought to be related to selective inhibition of the pre-synaptic norepinephrine transporter, as determined through in-vitro studies. Atomoxetine appears to have minimal affinity for other noradrenergic receptors or for other neurotransmitter transporters or receptors.</mechanism-of-toxicity>
  <metabolism>Atomoxetine is primarily metabolized by the CYP2D6 pathway to 4-hydroxyatomoxetine. 4-Hydroxyatomoxetine is equipotent to atomoxetine as an inhibitor of the norepinephrine transporter but circulates in plasma at much lower concentrations (1% of atomoxetine concentration in EMs and 0.1% of atomoxetine concentration in PMs).Half Life: 5 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>The most commonly reported symptoms accompanying acute and chronic overdoses are somnolence, agitation, hyperactivity, abnormal behavior, and gastrointestinal symptoms.</symptoms>
  <treatment>An airway should be established. Monitoring of cardiac and vital signs is recommended, along with appropriate  symptomatic and supportive measures. Gastric lavage may be indicated if performed soon after ingestion. Activated charcoal may be useful in limiting  absorption. Because atomoxetine is highly protein-bound, dialysis is not likely to be useful in the treatment of overdose. (L1712)</treatment>
  <created-at type="dateTime">2009-07-21T20:26:28Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:30:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Atomoxetine</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>127342</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Atomoxetine</stitch-id>
  <drugbank-id>DB00289</drugbank-id>
  <pdb-id></pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C17H21NO</moldb-formula>
  <moldb-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</moldb-inchi>
  <moldb-inchikey>VHGCDTVCOLNTBX-QGZVFWFLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">255.3547</moldb-average-mass>
  <moldb-mono-mass type="decimal">255.162314299</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.9</logp>
  <hmdb-id>HMDB14434</hmdb-id>
  <chembl-id>CHEMBL641</chembl-id>
  <chemspider-id>49516</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference>&lt;p&gt;Judith Aronhime, Stefano Bianchi, Eugenio Castelli, Paola Daverio, Silvia Mantovani, Adrienne Kovacsne-Mezei, &amp;#8220;Processes for the preparation of atomoxetine hydrochloride.&amp;#8221; U.S. Patent US20060211772, issued September 21, 2006.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002160</chemdb-id>
  <dsstox-id>DTXSID9044297</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000414</susdat-id>
  <iupac>methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine</iupac>
</compound>
