磺胺甲噁唑 HPLC≥98%
SMZ（Sulfamethoxazole）
品牌：桔子
产品编号：B24157
CAS号：723-46-6
分子式：C10H11N3O3S
分子量：253.28
MDL：MFCD00010546
| 产品名称 : | 磺胺甲噁唑 |
|---|---|
| 英文名称 : | SMZ（Sulfamethoxazole） |
| 参考名称 : | 4-氨基-N-(5-甲基异恶唑-3-基)苯磺酰胺 |
| 参考英文名称 : | 4-Amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide |
| CAS号 : | 723-46-6 |
| 分子式 : | C10H11N3O3S |
| 分子量 : | 253.28 |
| SMILES : | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N |
| MDL NO : | MFCD00010546 |
| PubChem CID : | 5329 |
| InChIKey : | JLKIGFTWXXRPMT-UHFFFAOYSA-N |
| 储存条件 : | RT&&2-8℃ |
实验性质
| 外观 / 形态 : | Crystals or white powder. (NTP, 1992)；Solid |
|---|---|
| 颜色 / 形态 : | Yellow-white powder；Almost white；Crystals from dilute ethanol；WHITE TO OFF-WHITE CRYSTALLINE POWDER；Colorless crystalline powder |
| 熔点 : | 167 °C；167 °C；MP: 171 °C；333 °F (NTP, 1992) |
| 溶解性 : | >38 [ug/mL] (The mean of the results at pH 7.4)；PRACTICALLY INSOL IN WATER, ETHER & CHLOROFORM; 1 G IN 50 ML ALCOHOL & ABOUT 4 ML ACETONE; DISSOLVES IN HCL HYDROGEN CHLORIDE OR SODIUM HYDROXIDE SOLN THROUGH SALT FORMATION；Insoluble in ethyl ether；In water, 610 mg/L at 37 °C；The solubility interactions of trimethoprim and sulfamethoxazole in binary solvents were studied using hexane (n-hexane)-ethyl acetate, ethyl acetate-methyl alcohol (methanol), and methyl alcohol-water as the solve mixtures. When solubilities were obtained for individual components, trimethoprim exhibited solvation in ethyl acetate-methyl alcohol mixtures, while sulfamethoxazole showed weaker solute-solvent interactions in the solvent series. At its peak, the solubility of sulfamethoxazole was about 8 times higher than that of trimethoprim when the drugs were combined. Sulfamethoxazole lowered trimethoprim solubility by 13-74%. Similarly, trimethoprim suppressed sulfamethoxazole solubility by 10-94%. In water, although mutual solubility was reduced, the solubility ratio of trimethoprim to sulfamethoxazole was 1:4 on the mol fraction scale. |
| 解离常数 pKa : | pKa1 = 1.6; pKa2 = 5.7 |
| LogP : | 0.7；log Kow = 0.89 |
| 热分解说明 : | When heated to decomposition it emits very toxic fumes of nitroxides and sulfoxides. |
| 气味 : | Odorless；PRACTICALLY ODORLESS |
计算性质
| LogP : | 0.9 |
|---|---|
| 极性表面积 (TPSA) : | 107 Ų |
| 氢键供体数 : | 2 |
| 氢键受体数 : | 6 |
| 可旋转键数 : | 3 |
| 精确质量 : | 253.05211239 Da |
| 重原子数 : | 17 |
| 分子复杂度 : | 346 |
资料来源：磺胺甲噁唑产品资料页；来源页标注 PubChem CID 5329，资料日期 2026-10-11。
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