CHEBI:36808 - duloxetine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name duloxetine hydrochloride
ChEBI ID CHEBI:36808
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C18H20ClNOS
Net Charge 0
Average Mass 333.87600
Monoisotopic Mass 333.09541
InChI InChI=1S/C18H19NOS.ClH/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;1H
InChIKey BFFSMCNJSOPUAY-UHFFFAOYSA-N
SMILES Cl.CNCCC(Oc1cccc2ccccc12)c1cccs1
ChEBI Ontology
Outgoing duloxetine hydrochloride (CHEBI:36808) has part duloxetine (CHEBI:36796)
duloxetine hydrochloride (CHEBI:36808) is a hydrochloride (CHEBI:36807)
Incoming (R)-duloxetine hydrochloride (CHEBI:36806) is a duloxetine hydrochloride (CHEBI:36808)
(S)-duloxetine hydrochloride (CHEBI:31526) is a duloxetine hydrochloride (CHEBI:36808)
IUPAC Name
N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride
Synonym Source
N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride IUPAC
Last Modified
17 August 2011