CHEBI:50309 - esomeprazole magnesium

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ChEBI Name esomeprazole magnesium
ChEBI ID CHEBI:50309
Definition A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae (C17H18N3O3S)2.Mg
C34H36MgN6O6S2
Net Charge 0
Average Mass 713.12100
Monoisotopic Mass 712.19882
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/t2*24-;/m00./s1
InChIKey KWORUUGOSLYAGD-YPPDDXJESA-N
SMILES [Mg++].COc1ccc2[n-]c(nc2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C.COc1ccc2[n-]c(nc2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C
Roles Classification
Biological Role(s): EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors.
Application(s): anti-ulcer drug
One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
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ChEBI Ontology
Outgoing esomeprazole magnesium (CHEBI:50309) has part esomeprazole(1−) (CHEBI:77264)
esomeprazole magnesium (CHEBI:50309) has role anti-ulcer drug (CHEBI:49201)
esomeprazole magnesium (CHEBI:50309) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
esomeprazole magnesium (CHEBI:50309) is a magnesium salt (CHEBI:33975)
IUPAC Name
bis(5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide) magnesium
Synonym Source
(−)-Omeprazole magnesium ChemIDplus
Brand Names Sources
Axagon DrugBank
Esopral DrugBank
Lucen DrugBank
Registry Numbers Types Sources
11323157 Reaxys Registry Number Reaxys
161973-10-0 CAS Registry Number ChemIDplus
Last Modified
06 February 2014