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Chemical structure of Duloxetine HCl

GC13871

Duloxetine HCl

Also known as (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride

Duloxetine HCl ((S)-Duloxetine HCl) is a serotonin-norepinephrine reuptake inhibitor (SNRI) with a Ki of 4·6 nM, used for treatment of major depressive disorder and generalized anxiety disorder (GAD)

ChemicalCAS136434-34-9MW333.88FormulaC18H19NOS·HCl
CAS number
136434-34-9
Molecular weight
333.88
Formula
C18H19NOS·HCl
Solubility
≥ 16·694mg/mL in DMSO
InChIKey
BFFSMCNJSOPUAY-LMOVPXPDSA-N
Catalogue number
GC13871
Brand
GLPBIO
Computed properties PubChem CID 60834 · TPSA 49.5 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
49.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22

SMILES CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl

Computed descriptors from PubChem (CID 60834), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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