Docetaxel (hydrate)
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Basic information
| GHS | |
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| Smiles | O([C@@]12CO[C@]1([H])C[C@H](O)[C@]1(C)[C@]2([H])[C@@H]([C@@]2(C[C@H](OC(=O)[C@H](O)[C@H](C3C=CC=CC=3)NC(=O)OC(C)(C)C)C(C)=C([C@H](C1=O)O)C2(C)C)O)OC(C1C=CC=CC=1)=O)C(=O)C.O |
| Inchi | InChI=1S/C43H53NO14.H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;/m0./s1 |
| InchiKey | YWKYKORYUFJSCV-XKIQGVRMSA-N |
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| Storage Condition | 001 |
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