5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate结构式
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常用名 | 5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate | 英文名 | 5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate |
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| CAS号 | 65914-79-6 | 分子量 | 673.82000 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C33H47N5O8S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | dihydro-β-ergocryptine mesylate |
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| 分子式 | C33H47N5O8S |
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| 分子量 | 673.82000 |
| 精确质量 | 673.31500 |
| PSA | 180.96000 |
| LogP | 3.31000 |
| InChIKey | YKEUOHBRJUALFI-ILSKZLILSA-N |
| SMILES | CCC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O |