CHEBI:31526 - (S)-duloxetine hydrochloride

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ChEBI Name (S)-duloxetine hydrochloride
ChEBI ID CHEBI:31526
ChEBI ASCII Name (S)-duloxetine hydrochloride
Definition A duloxetine hydrochloride in which the duloxetine moiety has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C18H19NOS.HCl
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/t17-;/m0./s1
InChIKey BFFSMCNJSOPUAY-LMOVPXPDSA-N
SMILES Cl.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Roles Classification
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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ChEBI Ontology
Outgoing (S)-duloxetine hydrochloride (CHEBI:31526) has part (S)-duloxetine (CHEBI:36795)
(S)-duloxetine hydrochloride (CHEBI:31526) has role antidepressant (CHEBI:35469)
(S)-duloxetine hydrochloride (CHEBI:31526) is a duloxetine hydrochloride (CHEBI:36808)
IUPAC Name
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride
Synonyms Sources
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride IUPAC
Cymbalta ChemIDplus
duloxetine hydrochloride ChemIDplus
Manual Xref Database
D01179 KEGG DRUG
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Registry Numbers Types Sources
136434-34-9 CAS Registry Number ChemIDplus
8168890 Reaxys Registry Number Reaxys
8168890 Beilstein Registry Number Beilstein
Last Modified
17 August 2011