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CHEBI:36795 - (S)-duloxetine

ChEBI IDCHEBI:36795
ChEBI Name(S)-duloxetine
Stars
ASCII Name(S)-duloxetine
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H19NOS
Net Charge0
Average Mass297.423
Monoisotopic Mass297.11874
SMILESCNCC[C@H](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/t17-/m0/s1
InChIKeyZEUITGRIYCTCEM-KRWDZBQOSA-N
Wikipedia
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)
(S)-duloxetine (CHEBI:36795) is a duloxetine (CHEBI:36796)
(S)-duloxetine (CHEBI:36795) is enantiomer of (R)-duloxetine (CHEBI:36797)
Incoming Relation(s)
(S)-duloxetine hydrochloride (CHEBI:31526) has part (S)-duloxetine (CHEBI:36795)
(R)-duloxetine (CHEBI:36797) is enantiomer of (S)-duloxetine (CHEBI:36795)
IUPAC Name 
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
Synonyms  Source
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amineIUPAC
(S)-duloxetineChemIDplus
LY 248686ChemIDplus
Manual XrefsDatabases
DuloxetineWikipedia
DB00476DrugBank
LSM-3591LINCS
972DrugCentral
Registry NumbersSources
Beilstein:4297128Beilstein
CAS:116539-59-4ChemIDplus