CHEBI:36796 - duloxetine

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ChEBI Name duloxetine
ChEBI ID CHEBI:36796
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H19NOS
Net Charge 0
Average Mass 297.41560
Monoisotopic Mass 297.11874
InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
InChIKey ZEUITGRIYCTCEM-UHFFFAOYSA-N
SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Roles Classification
Biological Role(s): EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).
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ChEBI Ontology
Outgoing duloxetine (CHEBI:36796) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779)
duloxetine (CHEBI:36796) is a thiophenes (CHEBI:26961)
Incoming duloxetine hydrochloride (CHEBI:36808) has part duloxetine (CHEBI:36796)
(R)-duloxetine (CHEBI:36797) is a duloxetine (CHEBI:36796)
(S)-duloxetine (CHEBI:36795) is a duloxetine (CHEBI:36796)
IUPAC Name
N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
Synonym Source
N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine IUPAC
Registry Numbers Types Sources
116539-58-3 CAS Registry Number ChemIDplus
8842375 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
20825390 PubMed citation Europe PMC
Last Modified
20 February 2014