basic_info |
|
| Product_Name: | DOCETAXEL HYDRATE |
| CAS: | 148408-66-6 |
| EnglishSynonyms: | DOCETAXEL ; DOCETAXEL TRIHYDRATE ; DOCETAXEL HYDRATE |
| pro_mdlNumber: | MFCD09038747 |
| pro_acceptors: | 15 |
| pro_donors: | 5 |
| pro_smile: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O.O.O.O |
| InChi: | InChI=1S/C43H53NO14.3H2O/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);3*1H2/t26-,27-,28+,30-,31+,32+,33+,35-,41+,42-,43+;;;/m0.../s1 |
| InChiKey: | InChIKey=XCDIRYDKECHIPE-KHDBCEGQSA-N |
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