Structure

InChI Key HJOCKFVCMLCPTP-UHFFFAOYSA-N
Smiles CCOc1ccccc1OCC1CNCCO1.Cl
InChI
InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20ClNO3
Molecular Weight 273.76
AlogP 1.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR FDA

Target Conservation

Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546

Cross References

Resources Reference
ChEMBL CHEMBL2106483
FDA SRS OQW30I1332
SureChEMBL SCHEMBL300741