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Chemical structure of Duloxetine

GC31064

Duloxetine

Also listed as Duloxetine ((S)-Duloxetine)

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

ChemicalCAS116539-59-4MW297.41FormulaC18H19NOS
CAS number
116539-59-4
Molecular weight
297.41
Formula
C18H19NOS
Solubility
DMSO : 50mg/mL
InChIKey
ZEUITGRIYCTCEM-KRWDZBQOSA-N
Catalogue number
GC31064
Brand
GLPBIO
Computed properties PubChem CID 60835 · XLogP 4.3 · TPSA 49.5 Ų · H-bond donors 1
XLogP
4.3
TPSA
49.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21

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

Computed descriptors from PubChem (CID 60835), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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