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CHEBI:36796 - duloxetine

ChEBI IDCHEBI:36796
ChEBI Nameduloxetine
Stars
Last Modified20 February 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H19NOS
Net Charge0
Average Mass297.423
Monoisotopic Mass297.11874
SMILESCNCCC(Oc1cccc2ccccc12)c1cccs1
InChIInChI=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
InChIKeyZEUITGRIYCTCEM-UHFFFAOYSA-N
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
duloxetine (CHEBI:36796) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779)
duloxetine (CHEBI:36796) is a thiophenes (CHEBI:26961)
Incoming Relation(s)
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-amineIUPAC
Registry NumbersSources
Beilstein:8842375Beilstein
CAS:116539-58-3ChemIDplus
Citations