Structure

InChI Key DYOBNLAYPQSBLB-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 3 D001289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1200377
FDA SRS H527KAP6L5
PubChem 9801310
SureChEMBL SCHEMBL1030966