compound introduction
三氟哌多是一种芳香酮。
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1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CAS number：749-13-3 molecular formula：C22H23F4NO2
overview
Specs
| Chinese alias | - | ||
| English alias | Butyrophenone,4'-fluoro-4-[4-hydroxy-4-(a,a,a-trifluoro-m-tolyl)piperidino]- (6CI,7CI,8CI); 4'-Fluoro-4-[4-hydroxy-4-(a,a,a-trifluoro-m-tolyl)piperidino]butyrophenone; Flumoperone; McN-JR 2498; NSC 170978; P 459; Psicoperidol; R 2498; Trifluoperidol; Trif | ||
| CAS number | 749-13-3 | molecular formula | C22H23F4NO2 |
| molecular weight | 409.4 | Exact mass | - |
| PSA | 40.5 | logp | 3.5 |
numbering system
| CAS | 749-13-3 |
| UNII | R8869Q7R8I |
| HMDB ID | HMDB0259210 |
| KEGG ID | D02625 |
| ChEBI ID | 135662 |
| Wikidata | Q4463264 |
| ChEMBL ID | CHEMBL15023 |
| Wikipedia | Trifluperidol |
| NSC Number | NSC Number: NSC170978 |
| AIDS 编号 | 127578 |
| DrugBank ID | DB13552 |
| DrugCentral | 2741 |
| PubChem CID | 5567 |
| Nikkaji Number | J6.962K |
| NCI 词表代码 | C76455 |
| Pharos Ligand ID | KQD1ZQX79TF5 |
| DSSTox Substance ID | DTXSID4023703 |
| Metabolomics Workbench ID | 154349 |
| PubChem Reference Collection SID | 516579316 |
| United States Adopted Name (USAN) | TRIFLUPERIDOL |
| International Nonproprietary Names (INN) | TRIFLUPERIDOL |
physicochemical properties
| XLogP3 | 3.5 |
| 复杂性 | 537 |
| Exact Mass | 409.16649162 |
| Human Drugs | 药品 |
| 形式电荷 | 0 |
| 重原子计数 | 29 |
| Molecular Weight | 409.4 |
| Monoisotopic Mass | 409.16649162 |
| 可旋转键计数 | 6 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 7 |
| Kovats 保留指数 | 标准非极性：2704.5 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 40.5 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 | 0 |
Safety information
No safety information yet
Production methods and uses
purpose
用途：
药品
工业应用参考：
工业分类参考：医药制造业。
应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料 。
选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代 。
Related
upstream information
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downstream information
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MSDS
Found 0 shareMSDS
