compound introduction
扎托普芬是有机分子实体。
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2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
Dangerous GoodsCAS number：74711-43-6 molecular formula：C17H14O3S
overview
Specs
| Chinese alias | 扎托布洛芬 | ||
| English alias | 10,11-Dihydro-alpha-methyl-10-oxo-dibenzo[b,f]thiepin-2-acetic acid | 10,11-dihydro-alpha-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid | Peon (TN) | BCP02387 | F0001-2421 | ZALTOPROFEN [JAN] | HMS3885E03 | 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl | ||
| CAS number | 74711-43-6 | molecular formula | C17H14O3S |
| molecular weight | 298.4 | Exact mass | ≥98% |
| PSA | 79.7 | logp | 3.5 |
numbering system
| CAS | 74711-43-6 |
| UNII | H8635NG3PY |
| HMDB ID | HMDB0259983 |
| KEGG ID | D01547 |
| ChEBI ID | 32306 |
| Wikidata | Q21099138 |
| ChEMBL ID | CHEMBL1765291 |
| Wikipedia | Zaltoprofen |
| 废弃 CAS | 89482-00-8 |
| DrugBank ID | DB06737 |
| DrugCentral | 2858 |
| PubChem CID | 5720 |
| Nikkaji Number | J22.089B |
| NCI 词表代码 | C66681 |
| DSSTox Substance ID | DTXSID0049076 |
| 生态与环境部编号 | _25Q1B3YNM |
| Metabolomics Workbench ID | 149944 |
| European Community (EC) Number | 277-973-5 |
| PubChem Reference Collection SID | 505900719 |
| International Nonproprietary Names (INN) | ZALTOPROFEN |
physicochemical properties
| XLogP3 | XLogP3-AA: 3.5 |
| 复杂性 | 422 |
| Exact Mass | 298.06636548 |
| 形式电荷 | 0 |
| 重原子计数 | 21 |
| Molecular Weight | 298.4 |
| Monoisotopic Mass | 298.06636548 |
| 可旋转键计数 | 2 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 4 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 79.7 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
危害类别和分类：
急性毒性4 (100%)
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：化学纤维制造业。
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：在科研材料体系中具备较强的组合应用潜力，价值往往取决于具体配方、纯度等级和工艺设计 。
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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