1.0 2016-09-30 23:14:46 UTC 2020-04-22 15:15:09 UTC BMDB0005026 BMDB05026 Rabeprazole Clofezone Eraloc Aciphex Habeprazole Pariet Pariets Rabeprazole sodium Sodium rabeprazole Dexrabeprazole 1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt 2-((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)-1H-benzimidazole Sodium, rabeprazole C18H21N3O3S 359.443 359.130362243 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole rabeprazole 117976-89-3 COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1 InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21) YREYEVIYCVEVJK-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 Azacyclic compounds Benzenoids Dialkyl ethers Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Sulfinyl compounds Sulfoxides Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Dialkyl ether 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 benzimidazoles pyridines sulfoxide Solid melting_point 101.7 - 103.9 °C logp 2.04 ALOGPS logs -3.03 ALOGPS logp 2.09 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic 4.24 ChemAxon iupac 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole ChemAxon average_mass 359.443 ChemAxon mono_mass 359.130362243 ChemAxon smiles COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1 ChemAxon formula C18H21N3O3S ChemAxon inchi InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21) ChemAxon inchikey YREYEVIYCVEVJK-UHFFFAOYSA-N ChemAxon polar_surface_area 77.1 ChemAxon refractivity 98.07 ChemAxon polarizability 39.64 ChemAxon rotatable_bond_count 8 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 11249 Specdb::CMs 117487 Specdb::CMs 172516 Specdb::MsMs 262398 Specdb::MsMs 262399 Specdb::MsMs 262400 Specdb::MsMs 282330 Specdb::MsMs 282331 Specdb::MsMs 282332 Specdb::MsMs 2464206 Specdb::MsMs 2464207 Specdb::MsMs 2464208 Specdb::MsMs 2500745 Specdb::MsMs 2500746 Specdb::MsMs 2500747 4853 DB01129 FDB023595 C07864 8768 Rabeprazole Souda, Shigeru; Ueda, Norihiro; Miyazawa, Shuhei; Tagami, Katsuya; Nomoto, Seiichiro; Okita, Makoto; Shimomura, Naoyuki; Kaneko, Toshihiko; Fujimoto, Masatoshi; et al. Preparation of 2-[(4-alkoxypyrid-2-yl)methylthio]benzimidazoles, -benzothiazoles, and -benzoxazoles as ulcer inhibitors. Eur. Pat. Appl. (1988), 96 pp. CODEN: EPXXDW EP 268956 A2 19880601 CAN 110:23889 AN 1989:23889