Synonyms
Status
Molecule Category Salt-form
UNII H527KAP6L5

Structure

InChI Key DYOBNLAYPQSBLB-UHFFFAOYSA-N
Smiles CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C9H13N.C4H7NO4/c1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7/h2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O4
Molecular Weight 268.31
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT KEGG PubMed PubMed

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
ChEMBL CHEMBL1200377
FDA SRS H527KAP6L5
PubChem 9801310
SureChEMBL SCHEMBL1030966