基本信息 |
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产品名称: | 艾瑞布林 |
CAS: | 253128-41-5 |
中文同义词: | 艾瑞布林 |
英文同义词: | ERIBULIN ; E 7389 |
MDL号: | MFCD23160037 |
氢键受体数量: | 12 |
氢键供体数量: | 2 |
Smile: | C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)C(O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O |
InChi: | InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39?,40+/m1/s1 |
InChiKey: | InChIKey=UFNVPOGXISZXJD-CPDFAICCSA-N |
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