4-Isoquinolinecarboxylicacid,3-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-,(3R,4S)-rel结构式
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常用名 | 4-Isoquinolinecarboxylicacid,3-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-,(3R,4S)-rel | 英文名 | 4-Isoquinolinecarboxylicacid,3-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-,(3R,4S)-rel |
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| CAS号 | 64036-07-3 | 分子量 | 385.36700 | |
| 密度 | 1.379g/cm3 | 沸点 | 596.2ºC at 760 mmHg | |
| 分子式 | C20H19NO7 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 314.3ºC |
| 英文名 | (4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid |
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| 密度 | 1.379g/cm3 |
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| 沸点 | 596.2ºC at 760 mmHg |
| 分子式 | C20H19NO7 |
| 分子量 | 385.36700 |
| 闪点 | 314.3ºC |
| 精确质量 | 385.11600 |
| PSA | 94.53000 |
| LogP | 2.36550 |
| InChIKey | YSIADTHTRFFQPJ-ZENAZSQFSA-N |
| SMILES | COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc3c(c1)OCO3)N(C)C2=O |
| 折射率 | 1.61 |
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~72%
4-Isoquinolinec... 64036-07-3 |
| 文献:Cushman; Mohan; Smith Journal of Medicinal Chemistry, 1984 , vol. 27, # 4 p. 544 - 547 |
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~%
4-Isoquinolinec... 64036-07-3 |
| 文献:Cushman,M.; Cheng,L. Journal of Organic Chemistry, 1978 , vol. 43, p. 286 - 288 |
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实验名称:NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
来源:DTP/NCI
靶标:N/A
External Id:MCF7_OneDose
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实验名称:NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
来源:DTP/NCI
靶标:N/A
External Id:IGROV1_OneDose
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