ATOMOXETINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 57WVB6I2W0
EPA CompTox DTXSID2044266
Parent Compound: ATOMOXETINE

Structure

InChI Key LUCXVPAZUDVVBT-UNTBIKODSA-N
Smiles CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl
InChI
InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22ClNO
Molecular Weight 291.82
AlogP 3.72
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - 25.1 -

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546

Cross References

Resources Reference
ChEBI 331697
ChEMBL CHEMBL1702
FDA SRS 57WVB6I2W0
KEGG D07473
PubChem 54840
SureChEMBL SCHEMBL122111
ZINC ZINC01842633
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