DOCETAXEL HYDRATE

pro_cas
148408-66-6
pro_cdbregno
CCD00711297
pro_formula
C43 H53 N O14 . 3 H2 O
pro_molWeight
861.929

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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