Structure

InChI Key WSTCENNATOVXKQ-UHFFFAOYSA-N
Smile Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChI
InChI=1S/C13H18ClNO.BrH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19BrClNO
Molecular Weight 320.66
AlogP 3.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dopamine transporter inhibitor PubMed DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
27.62
General disorders and administration site conditions
24.31
Injury, poisoning and procedural complications
20.99
Nervous system disorders
6.08
Investigations
5.52
Gastrointestinal disorders
3.87
Cardiac disorders
2.76
Respiratory, thoracic and mediastinal disorders
2.21

Cross References

Resources Reference
ChEBI 3219
ChEMBL CHEMBL1201735
FDA SRS E70G3G5863
Guide to Pharmacology 7135
KEGG C06860
PubChem 11984562
SureChEMBL SCHEMBL636116
ZINC ZINC00057206