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| IUPAC Name: | (6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-oxo-sulfanylidene-λ6-sulfanehydrochloride |
| Description: | Omeprazole Sulfide Hydrochloride is a metabolite of Omeprazole (O635000), which binds covalently to proton pump. It inhibits gastric secretion. Used as an anttiulcerative. |
| Molecular Weight: | 329.42 + 36.46 |
| Molecular Formula: | C17H19N3O2S·HCl |
| Canonical SMILES: | CC1=CN=C(C(=C1OC)C)CS(=O)(=S)C2=NC3=C(N2)C=C(C=C3)OC.Cl |
| InChI: | InChI=1S/C17H19N3O3S2.ClH/c1-10-8-18-15(11(2)16(10)23-4)9-25(21,24)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)1H |
| InChI Key: | ZYXBGYDAIOXNDI-UHFFFAOYSA-N |
| Melting Point: | >140°C (dec.) |
| Solubility: | DMSO (Slightly), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Muller, P., et al. Arzneimittel-Forsch., 33, 1685 (1983); Wallmark, B., et al. Biochim. Biophys. Acta., 778, 549 (1984); Morii, M., et al. J. Biol. chem., 268, 21553 (1993); Ritter, M., et al. Br. J. Pharmacol., 124, 627 (1998). |
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