非布索坦雜質(zhì)B
| 中文名稱 | 非布索坦雜質(zhì)B |
|---|---|
| 中文同義詞 | 非布索坦雜質(zhì)B;非布司他雜質(zhì)26;非布索坦二羧酸雜質(zhì);非布司他雜質(zhì)13;非布司他二羧酸雜質(zhì);非布司他雜質(zhì)FAC;2-[3-羧基-4-(2-甲基丙氧基)苯基]-4-甲基-5-噻唑羧酸;非布司他02 |
| 英文名稱 | 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid |
| 英文同義詞 | Febuxostat Dicarboxylic Acid Impurity;2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid;Febuxostat Impurity 26 (2-(3-carboxy-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid);Febuxostat Impurity C (DA);2-[3-carboxyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid;Febuxostat impurity 6/Febuxostat Dicarboxylic Acid/2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;Febuxostat-2 |
| CAS號(hào) | 1239233-87-4 |
| 分子式 | C16H17NO5S |
| 分子量 | 335.37 |
| EINECS號(hào) | |
| 相關(guān)類別 | 非布索坦雜質(zhì);對(duì)照品;對(duì)照品-雜質(zhì)對(duì)照品;標(biāo)準(zhǔn)品;雜質(zhì)對(duì)照品;Aromatics, Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;ZY |
| Mol文件 | 1239233-87-4.mol |
| 結(jié)構(gòu)式 |  |
非布索坦雜質(zhì)B 性質(zhì)
| 熔點(diǎn) | 218-222°C |
|---|---|
| 沸點(diǎn) | 568.9±60.0 °C(Predicted) |
| 密度 | 1.327±0.06 g/cm3(Predicted) |
| 儲(chǔ)存條件 | Refrigerator |
| 溶解度 | 可溶于DMSO（少許）、甲醇（少許） |
| 酸度系數(shù)(pKa) | 1.21±0.37(Predicted) |
| 形態(tài) | 固體 |
| 顏色 | 白色至類白色 |
| InChI | InChI=1S/C16H17NO5S/c1-8(2)7-22-12-5-4-10(6-11(12)15(18)19)14-17-9(3)13(23-14)16(20)21/h4-6,8H,7H2,1-3H3,(H,18,19)(H,20,21) |
| InChIKey | WSCLTDCYZOTAKS-UHFFFAOYSA-N |
| SMILES | S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C(O)=O)=C1 |
Febuxostat dicarboxylic acid impurity 是 Febuxostat 一種雜質(zhì)。Febuxostat 是選擇性黃嘌呤氧化酶 (XO) 抑制劑，Ki 為 0.6 nM。