compound introduction
维拉帕米是苯类和有机氨基化合物的成员。
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5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CAS number：16662-47-8 molecular formula：C28H40N2O5
overview
Specs
| Chinese alias | - | ||
| English alias | 5-[(3,4-dimethoxyphenethyl)methylamino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile; 5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile; methoxyverapamil; (+/-)-methoxyverapamil hydrochloride (d6 0 | ||
| CAS number | 16662-47-8 | molecular formula | C28H40N2O5 |
| molecular weight | 484.6 | Exact mass | - |
| PSA | 73.2 | logp | 3.8 |
numbering system
| CAS | 16662-47-8 |
| UNII | 39WPC8JHR8 |
| HMDB ID | HMDB0252599 |
| KEGG ID | D08009 |
| ChEBI ID | 34772 |
| Wikidata | Q412127 |
| ChEMBL ID | CHEMBL51149 |
| Wikipedia | Gallopamil |
| DrugBank ID | DB12923 |
| DrugCentral | 1275 |
| PubChem CID | 1234 |
| Nikkaji Number | J13.326D |
| NCI 词表代码 | C83725 |
| Pharos Ligand ID | 5U3NGQGRZBVP |
| DSSTox Substance ID | DTXSID5045172 |
| Metabolomics Workbench ID | 67412 |
| PubChem Reference Collection SID | 505629845 |
| International Nonproprietary Names (INN) | GALLOPAMIL |
physicochemical properties
| XLogP3 | 3.8 |
| 复杂性 | 639 |
| Exact Mass | 484.29372238 |
| 形式电荷 | 0 |
| 重原子计数 | 35 |
| Molecular Weight | 484.6 |
| Monoisotopic Mass | 484.29372238 |
| 可旋转键计数 | 14 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 7 |
| Kovats 保留指数 | 标准非极性：3190 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 73.2 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
No safety information yet
Production methods and uses
purpose
用途：
计算去除率(%): 18.8
工业应用参考：
工业分类参考：医药制造业。
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：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。
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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downstream information
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MSDS
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