omeprazole

Ligand id: 4279

Name: omeprazole

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 96.31
Molecular weight 345.11
XLogP 0.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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®
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.
Database Links
CAS Registry No. 73590-58-6 (source: Scifinder)
ChEBI CHEBI:7772
ChEMBL Ligand CHEMBL1503
DrugBank Ligand DB00338
GtoPdb PubChem SID 178101096
Immunopaedia Search omeprazole
PubChem CID 4594
Search Google for chemical match using the InChIKey SUBDBMMJDZJVOS-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey SUBDBMMJDZJVOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SUBDBMMJDZJVOS
Wikipedia Omeprazole

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Tocris
Omeprazole
Cat. No. 2583