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Chemical structure of Atomoxetine

GC41535

Atomoxetine

Also known as (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

Atomoxetine is a selective norepinephrine reuptake inhibitor with Ki values of 5, 77, and 1,451 nM for norepinephrine, serotonin, and dopamine transporters, respectively

ChemicalCAS83015-26-3MW255.4FormulaC17H21NO
CAS number
83015-26-3
Molecular weight
255.4
Formula
C17H21NO
Solubility
Soluble in DMSO
InChIKey
VHGCDTVCOLNTBX-QGZVFWFLSA-N
Catalogue number
GC41535
Brand
GLPBIO
Computed properties PubChem CID 54841 · XLogP 3.7 · TPSA 21.3 Ų · H-bond donors 1
XLogP
3.7
TPSA
21.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
19

SMILES CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2

Computed descriptors from PubChem (CID 54841), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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