Eribulin mesylate
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Basic information
| GHS | |
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| Smiles | CS(=O)(O)=O.C=C1C[C@]2([H])CC[C@]34O[C@]5([H])[C@@]6([H])[C@](O[C@]7([H])[C@]5([H])O[C@](CC(C[C@@]5([H])[C@@](C[C@@]8([H])O[C@@]([H])(CC[C@]1([H])O2)C[C@@H](C)C8=C)([H])O[C@H](C[C@H](O)CN)[C@@H]5OC)=O)([H])CC7)([H])[C@@]([C@@](O6)([H])C3)([H])O4 |
| 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 |
| InchiKey | QAMYWGZHLCQOOJ-WRNBYXCMSA-N |
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