omeprazole

Ligand id: 4279

Name: omeprazole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 96.31
Molecular weight 345.11
XLogP 0.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1989))
IUPAC Name
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
International Nonproprietary Names
INN number INN
5081 omeprazole
Synonyms
H 168/68
Losec®
Prilosec®
Database Links
CAS Registry No. 73590-58-6 (source: Scifinder)
ChEBI CHEBI:7772
ChEMBL Ligand CHEMBL1503
DrugBank Ligand DB00338
Human Metabolome Database HMDB01913
PubChem CID 4594
Search Google for chemical match using the InChIKey SUBDBMMJDZJVOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SUBDBMMJDZJVOS
Search PubMed clinical trials omeprazole
Search PubMed titles omeprazole
Search PubMed titles/abstracts omeprazole
Wikipedia Omeprazole
Comments
This approved drug omeprazole is a racemic mixture of the R and S stereoisomers. Omeprazole is a potassium-transporting ATPase inhibitor, commonly referred to as a proton pump inhibitor.