CHEBI:127342 - atomoxetine

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ChEBI Name atomoxetine
ChEBI ID CHEBI:127342
Definition A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H21NO
Net Charge 0
Average Mass 255.35470
Monoisotopic Mass 255.162
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
InChIKey VHGCDTVCOLNTBX-QGZVFWFLSA-N
SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): adrenergic uptake inhibitor
Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): adrenergic uptake inhibitor
Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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ChEBI Ontology
Outgoing atomoxetine (CHEBI:127342) has role adrenergic uptake inhibitor (CHEBI:35640)
atomoxetine (CHEBI:127342) has role antidepressant (CHEBI:35469)
atomoxetine (CHEBI:127342) has role environmental contaminant (CHEBI:78298)
atomoxetine (CHEBI:127342) has role xenobiotic (CHEBI:35703)
atomoxetine (CHEBI:127342) is a aromatic ether (CHEBI:35618)
atomoxetine (CHEBI:127342) is a secondary amino compound (CHEBI:50995)
atomoxetine (CHEBI:127342) is a toluenes (CHEBI:27024)
Incoming atomoxetine hydrochloride (CHEBI:331697) has part atomoxetine (CHEBI:127342)
IUPAC Name
(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
INNs Sources
atomoxetine KEGG DRUG
tomoxetine DrugBank
Synonyms Sources
(-)-Tomoxetine ChEBI
Tomoxetina DrugBank
Tomoxetinum DrugBank
Manual Xrefs Databases
256 DrugCentral
Atomoxetine Wikipedia
D07473 KEGG DRUG
DB00289 DrugBank
HMDB0014434 HMDB
LSM-2452 LINCS
View more database links
Registry Numbers Types Sources
4318684 Reaxys Registry Number Reaxys
4318684 Beilstein Registry Number Beilstein
83015-26-3 CAS Registry Number KEGG DRUG
83015-26-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15338851 PubMed citation Europe PMC
23048018 PubMed citation Europe PMC
Last Modified
22 February 2017