compound introduction
沙格雷酯是一种半琥珀酸酯和 stilbenoid。
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Daily chemical industry
4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
CAS number：125926-17-2 molecular formula：C24H31NO6
overview
Specs
| Chinese alias | 沙格雷酯 | ||
| English alias | 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic acid | D08508 | SR-01000883998 | LS-187,118 | STK631325 | DB12163 | J-513134 | NCGC00167489-02 | 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]ox | ||
| CAS number | 125926-17-2 | molecular formula | C24H31NO6 |
| molecular weight | 429.5 | Exact mass | - |
| PSA | 85.3 | logp | 1.2 |
numbering system
| CAS | 125926-17-2 |
| UNII | 19P708E787 |
| HMDB ID | HMDB0257502 |
| KEGG ID | D08508 |
| ChEBI ID | 135697 |
| Wikidata | Q44931 |
| ChEMBL ID | CHEMBL52939 |
| Wikipedia | Sarpogrelate |
| 废弃 CAS | 135309-80-7 |
| DrugBank ID | DB12163 |
| DrugCentral | 2423 |
| PubChem CID | 5160 |
| Nikkaji Number | J322.421J |
| NCI 词表代码 | C73158 |
| Pharos Ligand ID | GWK2QDRWY5RH |
| DSSTox Substance ID | DTXSID7048328 |
| Metabolomics Workbench ID | 153203 |
| PubChem Reference Collection SID | 500824881 |
| International Nonproprietary Names (INN) | SARPOGRELATE |
physicochemical properties
| XLogP3 | XLogP3-AA: 1.2 |
| 复杂性 | 540 |
| Exact Mass | 429.21513771 |
| 形式电荷 | 0 |
| 重原子计数 | 31 |
| Molecular Weight | 429.5 |
| Monoisotopic Mass | 429.21513771 |
| 可旋转键计数 | 14 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 7 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 85.3 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 1 |
Safety information
Drug Induced Liver Injury：
参考文献：DOI:10.1016/j.drudis.2019.09.022
Production methods and uses
purpose
工业应用参考：
工业分类参考：水的生产和供应业。
应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件 。
作用参考：在健康、安全与公共防护相关场景中，可为消毒、净化、防腐或阻燃方向提供材料支持 。
选型提示：采购时应优先考虑适配性、可追溯性和持续供货能力，避免只按价格高低判断材料优劣 。
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MSDS
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