CHEBI:36795 - (S)-duloxetine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-duloxetine
ChEBI ID CHEBI:36795
ChEBI ASCII Name (S)-duloxetine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C18H19NOS
Net Charge 0
Average Mass 297.41560
Monoisotopic Mass 297.119
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/t17-/m0/s1
InChIKey ZEUITGRIYCTCEM-KRWDZBQOSA-N
SMILES CNCC[C@H](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).
(via duloxetine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-duloxetine (CHEBI:36795) is a duloxetine (CHEBI:36796)
(S)-duloxetine (CHEBI:36795) is enantiomer of (R)-duloxetine (CHEBI:36797)
Incoming (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 Sources
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine IUPAC
(S)-duloxetine ChemIDplus
LY 248686 ChemIDplus
Database Links Databases
DB00476 DrugBank
Duloxetine Wikipedia
LSM-3591 LINCS
View more database links
Registry Numbers Types Sources
116539-59-4 CAS Registry Number ChemIDplus
4297128 Beilstein Registry Number Beilstein
Last Modified
25 February 2016