Structure

InChI Key ORUUBRMVQCKYHB-UHFFFAOYSA-N
Smiles CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O
InChI
InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NO6
Molecular Weight 381.47
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546
Protein: Serotonin transporter

Description: Sodium-dependent serotonin transporter

Organism : Homo sapiens

P31645 ENSG00000108576

Cross References

Resources Reference
ChEMBL CHEMBL1201728
FDA SRS H9E1T0BI90
PubChem 6918664
SureChEMBL SCHEMBL272654