Structure

InChI Key HEYVINCGKDONRU-UHFFFAOYSA-N
Smiles CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl
InChI
InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19Cl2NO
Molecular Weight 276.21
AlogP 3.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR PubMed DailyMed

Target Conservation

Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546
Protein: Dopamine transporter

Description: Sodium-dependent dopamine transporter

Organism : Homo sapiens

Q01959 ENSG00000142319

Cross References

Resources Reference
ChEBI 3220
ChEMBL CHEMBL1698
FDA SRS ZG7E5POY8O
PubChem 62884
SureChEMBL SCHEMBL41602