Structure

InChI Key VEPOHXYIFQMVHW-UHFFFAOYSA-N
Smile CC1C(c2ccccc2)OCCN1C.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C12H17NO.C4H6O6/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,10,12H,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO7
Molecular Weight 341.36
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dopamine transporter inhibitor PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
22.12
General disorders and administration site conditions
15.93
Nervous system disorders
15.04
Psychiatric disorders
8.85
Vascular disorders
7.96
Eye disorders
5.31
Respiratory, thoracic and mediastinal disorders
4.42
Gastrointestinal disorders
3.54
Injury, poisoning and procedural complications
3.54
Skin and subcutaneous tissue disorders
3.54

Cross References

Resources Reference
ChEMBL CHEMBL2062163
FDA SRS 6985IP0T80
PubChem 120608