compound introduction
Seratrodast是有机分子实体。
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7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Dangerous GoodsCAS number：112665-43-7 molecular formula：C22H26O4
overview
Specs
| Chinese alias | - | ||
| English alias | (+/-)-2,4,5-TRIMETHYL-3,6-DIOXO-.ZETA.-PHENYL-1,4-CYCLOHEXADIENE-1-HEPTANOIC ACID | J-002813 | SERATRODAST [USAN] | 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid | 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl | ||
| CAS number | 112665-43-7 | molecular formula | C22H26O4 |
| molecular weight | 354.4 | Exact mass | ≥97% |
| PSA | 71.4 | logp | 4.4 |
numbering system
| CAS | 112665-43-7 |
| UNII | 4U58JM421N |
| HMDB ID | HMDB0258244 |
| KEGG ID | D01123 |
| ChEBI ID | 32126 |
| Wikidata | Q7452735 |
| ChEMBL ID | CHEMBL70972 |
| Wikipedia | Seratrodast |
| NSC Number | NSC Number: NSC759640 |
| 废弃 CAS | 103186-19-2 |
| DrugBank ID | DB06739 |
| DrugCentral | 2432 |
| PubChem CID | 2449 |
| Nikkaji Number | J1.633.058B |
| NCI 词表代码 | C90671 |
| Pharos Ligand ID | G5XUD93ZJSHC |
| DSSTox Substance ID | DTXSID4021397 |
| Metabolomics Workbench ID | 149946 |
| European Community (EC) Number | 692-169-8 |
| PubChem Reference Collection SID | 505880833 |
| United States Adopted Name (USAN) | SERATRODAST |
| International Nonproprietary Names (INN) | SERATRODAST |
physicochemical properties
| XLogP3 | XLogP3-AA: 4.4 |
| 复杂性 | 633 |
| Exact Mass | 354.18310931 |
| 形式电荷 | 0 |
| 重原子计数 | 26 |
| Molecular Weight | 354.4 |
| Monoisotopic Mass | 354.18310931 |
| 可旋转键计数 | 8 |
| 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 | 71.4 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：
Repr. 2 (100%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：电气机械和器材制造业。
应用场景参考：适合对材料精细度、设备条件和应用环境要求较高的场景，通常需要结合工艺目标做进一步筛选 。
作用参考：可用于改善产品性能、稳定性或使用体验，在配方优化和质量提升中具备辅助价值 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
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MSDS
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