methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate
更新时间：2025-09-23 00:33:53
methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate结构式
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常用名 | methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate | 英文名 | methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate |
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| CAS号 | 109244-61-3 | 分子量 | 598.17200 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C21H16I2N2O3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)benzoate |
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| 英文别名 | 更多 |
| 分子式 | C21H16I2N2O3 |
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| 分子量 | 598.17200 |
| 精确质量 | 597.92500 |
| PSA | 87.57000 |
| LogP | 6.29510 |
| InChIKey | ISGOSOIRIBPFPU-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1C1c2cc(I)c(N)cc2Oc2c1ccc(N)c2I |
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~11%
methyl 2-(3,6-d... 109244-61-3
详细
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| 文献：Kinsey, Berma M.; Kassis, Amin I.; Fayad, Fahed; Layne, Warren W.; Adelstein, S. James Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1757 - 1761 |
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~23%
methyl 2-(3,6-d... 109244-61-3 |
| 文献：Kinsey, Berma M.; Kassis, Amin I.; Fayad, Fahed; Layne, Warren W.; Adelstein, S. James Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1757 - 1761 |
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~%
methyl 2-(3,6-d... 109244-61-3 |
| 文献：Kinsey, Berma M.; Kassis, Amin I.; Fayad, Fahed; Layne, Warren W.; Adelstein, S. James Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1757 - 1761 |
| 上游产品 2 | |
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| 下游产品 0 | |
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实验名称：Extra cellular concentration of radiolabeled compound was determined in chinese hamst...
来源：ChEMBL
靶标：N/A
External Id：CHEMBL818636
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实验名称：Cellular uptake of radiolabeled compound by chinese hamster lung fibro blasts.
来源：ChEMBL
靶标：N/A
External Id：CHEMBL818635
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实验名称：Ratio of pCi/cell cellular uptake to uCi/mL cellular uptake
来源：ChEMBL
靶标：N/A
External Id：CHEMBL848099
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共4条，当前第1页，共1页
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| 4',7'-diiododihydrorhodamine 123 |
| Benzoic acid,2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-yl)-,methyl ester |
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