1.0 2016-09-30 22:48:56 UTC 2020-04-22 15:09:06 UTC BMDB0001913 BMDB01913 Omeprazole Prilosec ( -)-Omeprazole (-)-Omeprazole (S)-(-)-Omeprazole (S)-Omeprazole 2,3,5-Trimethylpyridine/Omeprazole Antra Antra mups Audazol Aulcer Belmazol Ceprandal Danlox Demeprazol Desec Dizprazol Dudencer Elgam Emeproton Epirazole Erbolin Esomeprazole Esomperazole Exter Gasec Gastrimut Gastroloc Gibancer Indurgan Inhibitron Inhipump Lensor Logastric Lomac Losec Mepral Miol Miracid Mopral Morecon Nexiam Nexium Nexium IV Nilsec Nopramin Nuclosina Ocid Olexin Omapren Omebeta 20 Omed Omegast OMEP Omepradex Omepral Omeprazol Omeprazole pellets Omeprazolum Omeprazon Omeprol Omesek Omez Omezol Omezolan Omid Omisec Omizac Ompanyt OMZ Ortanol Osiren Ozoken Paprazol Parizac Pepticum Pepticus Peptilcer Prazentol Prazidec Prazolit Prestwick_808 Prilosec otc Procelac Proclor Prysma Ramezol Regulacid Result Sanamidol Secrepina Tedec ulceral Ulceral Ulcesep Ulcometion Ulcozol Ulcsep Ulsen Ultop Ulzol Victrix Zefxon Zegerid Zepral Zimor Zoltum Magnesium, omeprazole Omeprazole magnesium Omeprazole sodium Sodium, omeprazole C17H19N3O3S 345.416 345.114712179 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole omeprazole 73590-58-6 COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C 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) SUBDBMMJDZJVOS-UHFFFAOYSA-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 aromatic ether benzimidazoles pyridines sulfoxide Solid melting_point 156 °C water_solubility 0.5 mg/mL logp 2.23 SANGSTER (1994) logp 1.66 ALOGPS logs -2.98 ALOGPS logp 2.43 ChemAxon pka_strongest_acidic 9.29 ChemAxon pka_strongest_basic 4.77 ChemAxon iupac 6-methoxy-2-[(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(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C 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) ChemAxon inchikey SUBDBMMJDZJVOS-UHFFFAOYSA-N ChemAxon polar_surface_area 77.1 ChemAxon refractivity 93.66 ChemAxon polarizability 37.45 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 20603 Specdb::CMs 158644 Specdb::NmrOneD 1795 Specdb::NmrTwoD 1735 Specdb::MsMs 44361 Specdb::MsMs 44362 Specdb::MsMs 44363 Specdb::MsMs 143610 Specdb::MsMs 143611 Specdb::MsMs 143612 Specdb::MsMs 374228 Specdb::MsMs 440588 Specdb::MsMs 440907 Specdb::MsMs 440908 Specdb::MsMs 440909 Specdb::MsMs 440910 Specdb::MsMs 440911 Specdb::MsMs 450643 Specdb::MsMs 450644 Specdb::MsMs 451072 Specdb::MsMs 451789 Specdb::MsMs 452319 Specdb::MsMs 2233891 Specdb::MsMs 2235016 Specdb::MsMs 2238682 Specdb::MsMs 2238776 Specdb::MsMs 2238828 Specdb::MsMs 2238883 Specdb::MsMs 2245008 DB00338 FDB021863 4594 4433 77260 C07324 2299956 Omeprazole 1632 BMDBP00939 Prothrombin P00735 F2 Enzyme