1.0 2016-09-30 23:14:34 UTC 2020-04-22 15:15:06 UTC BMDB0005009 BMDB05009 (S)-Esomeprazole (-)-Omeprazole (S)-(-)-Omeprazole (S)-Omeprazole Alenia Escz Esofag Esomeprazol Esomeprazolum Inexium paranova (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 Esomeprazole strontium anhydrous Strontium, esomeprazole Esomeprazole sodium Esomeprazole strontium Nexium AstraZeneca brand OF esomeprazole magnesium Esomeprazole magnesium Esomeprazole potassium 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. Organic compounds Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles Sulfinylbenzimidazoles 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 Aromatic heteropolycyclic compounds 5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole Solid logp 1.66 ALOGPS logs -2.99 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 number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes 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 DB00736 FDB023582 7843323 9568614 50275 Esomeprazole Kohl, Bernhard; Senn-Bilfinger, Joerg. Enantiomerically pure (pyridylmethylsulfinyl)benzimidazoles useful as drugs, and their preparation from racemates. Ger. Offen. (1992), 8 pp. CODEN: GWXXBX DE 4035455 A1 19920514 CAN 117:90285 AN 1992:490285