Omeprazole magnesiumProduct ingredient for Omeprazole

Name
Omeprazole magnesium
Drug Entry
Omeprazole

Originally approved by the FDA in 1989, omeprazole is a proton-pump inhibitor, used to treat gastric acid-related disorders. These disorders may include gastroesophageal reflux disease (GERD), peptic ulcer disease, and other diseases characterized by the oversecretion of gastric acid. This drug was the first clinical useful drug in its class, and its approval was followed by the formulation of many other proton pump inhibitor drugs 6. Omeprazole is generally effective and well-tolerated, promoting its popular use in children and adults Label.

Accession Number
DBSALT000131
Structure
Thumb
Synonyms
Not Available
UNII
426QFE7XLK
CAS Number
95382-33-5
Weight
Average: 713.121
Monoisotopic: 712.198816192
Chemical Formula
C34H36MgN6O6S2
InChI Key
KWORUUGOSLYAGD-UHFFFAOYSA-N
InChI
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2
IUPAC Name
magnesium(2+) ion bis(6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazol-1-ide)
SMILES
[Mg++].COC1=CC2=C(C=C1)N=C([N-]2)S(=O)CC1=C(C)C(OC)=C(C)C=N1.COC1=CC2=C(C=C1)N=C([N-]2)S(=O)CC1=C(C)C(OC)=C(C)C=N1
PubChem Compound
130564
ChemSpider
115498
ChEBI
94401
ChEMBL
CHEMBL1567328
Predicted Properties
PropertyValueSource
Water Solubility0.0165 mg/mLALOGPS
logP3.51ALOGPS
logP2.43ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.29ChemAxon
pKa (Strongest Basic)4.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area74.2 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity94.27 m3·mol-1ChemAxon
Polarizability37.13 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon