3-脱氧乌头碱结构式
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常用名 | 3-脱氧乌头碱 | 英文名 | deoxyaconitine |
|---|---|---|---|---|
| CAS号 | 3175-95-9 | 分子量 | 629.738 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 680.6±55.0 °C at 760 mmHg | |
| 分子式 | C34H47NO10 | 熔点 | 177-180℃ | |
| MSDS | N/A | 闪点 | 365.4±31.5 °C |
3-脱氧乌头碱用途3-Deoxyaconitine 是一种二萜类生物碱,可从 Aconitum Carmichaeli Debx. 中活得。 |
| 中文名 | 脱氧乌头碱 |
|---|---|
| 英文名 | 3-Deoxyaconitine |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 680.6±55.0 °C at 760 mmHg |
| 熔点 | 177-180℃ |
| 分子式 | C34H47NO10 |
| 分子量 | 629.738 |
| 闪点 | 365.4±31.5 °C |
| 精确质量 | 629.320007 |
| PSA | 133.22000 |
| LogP | 1.45 |
| InChIKey | PHASMOUKYDUAOZ-KVOICKMLSA-N |
| SMILES | CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
| 蒸汽压 | 0.0±2.2 mmHg at 25°C |
| 折射率 | 1.603 |
| 储存条件 | 室温 |
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实验名称:Antiproliferative activity against human A549 cells by sulforhodamine B assay
来源:ChEMBL
靶标:A549
External Id:CHEMBL3406313
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实验名称:Growth inhibition of human A172 cells after 6 days
来源:ChEMBL
靶标:NON-PROTEIN TARGET
External Id:CHEMBL943164
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实验名称:Antiproliferative activity against multidrug-resistant P-gp expressing human KBVIN ce...
来源:ChEMBL
靶标:NON-PROTEIN TARGET
External Id:CHEMBL3406316
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实验名称:Selectivity ratio of GI50 for human KB cells to GI50 for multidrug-resistant P-gp exp...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL3406317
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实验名称:Antiproliferative activity against human DU145 cells by sulforhodamine B assay
来源:ChEMBL
靶标:DU-145
External Id:CHEMBL3406314
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实验名称:Antiproliferative activity against human KB cells by sulforhodamine B assay
来源:ChEMBL
靶标:KB
External Id:CHEMBL3406315
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| Aconitine,deoxy |
| (1α,6α,14α,15α,16β)-8-Acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| deoxyaconitine |