4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid 基本信息
| 中文名稱 | 4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid |
|---|---|
| 中文同義詞 | 奧美拉唑硫化物5-羧酸;5-羧酸,奧美拉唑硫化物 |
| 英文名稱 | 4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid |
| 英文同義詞 | 4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid;Omeprazole sulfide 5-carboxylic acid;3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-5-methyl-;5-carboxylic acid, omeprazole sulphide |
| CAS號(hào) | 103877-00-5 |
| 分子式 | C17H17N3O4S |
| 分子量 | 359.4 |
| EINECS號(hào) | |
| 相關(guān)類別 | |
| Mol文件 | 103877-00-5.mol |
| 結(jié)構(gòu)式 | ![4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid 結(jié)構(gòu)式](CAS/20180702/GIF/103877-00-5.gif) |
4-Methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)thio]methyl}-5-methyl-3-pyridinecarboxylic acid 性質(zhì)
| 沸點(diǎn) | 619.3±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.43±0.1 g/cm3(Predicted) |
| 儲(chǔ)存條件 | 2-8°C |
| 酸度系數(shù)(pKa) | 2.02±0.10(Predicted) |
| 主要應(yīng)用 | forensics and toxicology pharmaceutical (small molecule) |
| InChI | 1S/C17H17N3O4S/c1-9-14(18-7-11(16(21)22)15(9)24-3)8-25-17-19-12-5-4-10(23-2)6-13(12)20-17/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22) |
| InChIKey | BNOSHBGSJBEMGC-UHFFFAOYSA-N |
| SMILES | CC1=C(CSC2=NC3=CC(OC)=CC=C3N2)N=CC(C(O)=O)=C1OC |