DULOXETINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 9044SC542W
EPA CompTox DTXSID9046443
Parent Compound: DULOXETINE

Structure

InChI Key BFFSMCNJSOPUAY-LMOVPXPDSA-N
Smiles CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20ClNOS
Molecular Weight 333.88
AlogP 4.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR PubMed DailyMed Wikipedia

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 31526
ChEMBL CHEMBL1200328
FDA SRS 9044SC542W
Guide to Pharmacology 202
KEGG D07880
PubChem 60834
SureChEMBL SCHEMBL119403
ZINC ZINC01536779
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