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CHEBI:50309 - esomeprazole magnesium

ChEBI IDCHEBI:50309
ChEBI Nameesomeprazole magnesium
Stars
DefinitionA 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.
Last Modified6 February 2014
SubmitterInma Spiteri
DownloadsMolfile
Formula2C17H18N3O3S.Mg
Net Charge0
Average Mass713.137
Monoisotopic Mass712.19882
SMILESCOc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
InChIInChI=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
InChIKeyKWORUUGOSLYAGD-YPPDDXJESA-N
Roles Classification
Biological Role:
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:
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.
ChEBI Ontology
Outgoing Relation(s)
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 magnesiumChemIDplus
Brand Names  Source
LucenDrugBank
EsopralDrugBank
AxagonDrugBank
Registry NumbersSources
Reaxys:11323157Reaxys
CAS:161973-10-0ChemIDplus