Eribulin mesylate
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Basic information
| Inchi | InChI=1S/C40H59NO11.CH4O3S/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;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1 |
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| Smiles | S(C)(=O)(=O)O.C=C1C[C@@]2(CC[C@]34O[C@@]5([H])[C@@](O[C@]6([C@](O3)([H])[C@]3([H])[C@@](CC[C@@](O3)(CC(=O)C[C@]3([C@@](C[C@]7(O[C@](CC[C@@]1(O2)[H])([H])C[C@@H](C)C7=C)[H])([H])O[C@H](C[C@@H](CN)O)[C@@H]3OC)[H])[H])([H])O[C@]65[H])[H])([H])C4)[H] |
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| InchiKey | QAMYWGZHLCQOOJ-WRNBYXCMSA-N |
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