1.0 2011-09-21 00:31:56 UTC 2015-07-21 06:57:46 UTC FDB023582 (S)-Esomeprazole Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor which reduces gastric acid secretion through inhibition of H+/K+-ATPase in gastric parietal cells. By inhibiting the functioning of this enzyme, the drug prevents formation of gastric acid.; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor (brand names Nexium; Lucen; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Lucen; A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and Zollinger-Ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of gastric parietal cells. [HMDB] (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole (S)-Esomeprazole Alenia Escz Esofag Esomeprazol Esomeprazolum Inexium paranova C17H19N3O3S 345.416 345.114712179 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole 119141-88-7 COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 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 SUBDBMMJDZJVOS-DEOSSOPVSA-N belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety. Sulfinylbenzimidazoles Organic compounds Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Sulfinyl compounds Sulfoxides Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Imidazole Methylpyridine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Pyridine Sulfinyl compound Sulfinylbenzimidazole Sulfoxide 5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole Solid logp 1.66 ALOGPS logs -2.99 ALOGPS solubility 3.53e-01 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic 4.77 ChemAxon iupac 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole ChemAxon average_mass 345.416 ChemAxon mono_mass 345.114712179 ChemAxon smiles COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 ChemAxon formula C17H19N3O3S ChemAxon 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 ChemAxon inchikey SUBDBMMJDZJVOS-DEOSSOPVSA-N ChemAxon polar_surface_area 77.1 ChemAxon refractivity 93.66 ChemAxon polarizability 35.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9512 Specdb::CMs 166888 Specdb::MsMs 71517 Specdb::MsMs 71518 Specdb::MsMs 71519 Specdb::MsMs 130209 Specdb::MsMs 130210 Specdb::MsMs 130211 Specdb::MsMs 2242244 Specdb::MsMs 2243615 Specdb::MsMs 2753974 Specdb::MsMs 2753975 Specdb::MsMs 2753976 Specdb::MsMs 2951310 Specdb::MsMs 2951311 Specdb::MsMs 2951312 HMDB05009