Esomeprazole
6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Molecular Identity
Esomeprazole
6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID: 9568614
Esomeprazole is 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. It has a role as a histamine antagonist, an EC 1.4.3.4 (monoamine oxidase) inhibitor, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. It is a conjugate acid of an esomeprazole(1-). It is an enantiomer of a (R)-omeprazole.
2D Structure
Properties
C17H19N3O3S
Molecular Formula
345.40
Molecular Weight
g/mol
345.1147
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
96.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
453
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Esomeprazole119141-88-7(S)-Omeprazole(-)-OmeprazoleInexium paranova(S)-(-)-OmeprazoleesomeprazolesomeprazolumAleniaEsofagEsczNexiamOmeprazole, (s)-PerprazoleEsopral
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Esomeprazole
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