Mrv0541 01011407482D          

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M  END
> <ID>
CHEBI:50275

> <NAME>
esomeprazole

> <DEFINITION>
A 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has S configuration at the sulfur atom. An inhibitor of gastric acid secretion, it is used (generally as its sodium or magnesium salt) for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.

> <STAR>
3

> <SYNONYM>
(S)-omeprazole; (S)-(-)-omeprazole; (-)-omeprazole

> <IUPAC_NAME>
5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole

> <INN>
esomeprazolum; esomeprazole; esomeprazole; esomeprazol

> <BRAND_NAME>
Inexium paranova; Esofag; Escz; Alenia

> <FORMULA>
C17H19N3O3S

> <MASS>
345.41600

> <MONOISOTOPIC_MASS>
345.11471

> <CHARGE>
0

> <SMILES>
COc1ccc2[nH]c(nc2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C

> <INCHI>
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

> <INCHIKEY>
SUBDBMMJDZJVOS-DEOSSOPVSA-N

> <CAS_REGISTRY_NUMBER>
119141-88-7

> <REAXYS_REGISTRY_NUMBER>
12060639

> <CHEMIDPLUS>
119141-88-7

> <DRUGBANK_ACCESSION>
DB00736

> <KEGG_DRUG_ACCESSION>
D07917

> <WIKIPEDIA_ACCESSION>
Esomeprazole

> <PUBMED_CITATION>
10983736; 15080761; 18407713; 18472988; 23677700

$$$$