Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII E70G3G5863
Parent Compound: BUPROPION

Structure

InChI Key WSTCENNATOVXKQ-UHFFFAOYSA-N
Smiles 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

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR PubMed DailyMed

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