compound introduction
1-甲基-10-[2-(4-甲基-1-哌嗪基)-1-氧代乙基]-5H-噻吩并[3,4-b][1,5]苯并二氮杂卓-4-酮是一种苯并二氮杂卓类药物。
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1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
CAS number：80880-90-6 molecular formula：C19H22N4O2S
overview
Specs
| Chinese alias | - | ||
| English alias | - | ||
| CAS number | 80880-90-6 | molecular formula | C19H22N4O2S |
| molecular weight | 370.5 | Exact mass | - |
| PSA | 84.1 | logp | 1.7 |
numbering system
| CAS | 80880-90-6 |
| UNII | 0990EG3K10 |
| HMDB ID | HMDB0258786 |
| ChEBI ID | 92110 |
| Wikidata | Q7696413 |
| ChEMBL ID | CHEMBL253978 |
| Wikipedia | Telenzepine |
| DrugBank ID | DB19508 |
| PubChem CID | 5387 |
| Nikkaji Number | J33.100G |
| NCI 词表代码 | C75285 |
| Pharos Ligand ID | GUYN62L28MFL |
| DSSTox Substance ID | DTXSID5045209 |
| PubChem Reference Collection SID | 516578578 |
| International Nonproprietary Names (INN) | TELENZEPINE |
physicochemical properties
| XLogP3 | XLogP3-AA: 1.7 |
| 复杂性 | 552 |
| Exact Mass | 370.14634713 |
| 形式电荷 | 0 |
| 重原子计数 | 26 |
| Molecular Weight | 370.5 |
| Monoisotopic Mass | 370.14634713 |
| 可旋转键计数 | 2 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 5 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 84.1 Ų |
| Collision Cross Section | 170.92 Ų [M+H-H2O]+ [CCS类型：TW；方法：用聚丙氨酸和药物标准校准] |
| 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
工业应用参考：
工业分类参考：医药制造业。
应用场景参考：常见于生产制造场景，可作为主料、辅料、添加剂或工艺辅助材料参与配方与加工流程 。
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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MSDS
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