Basic Information |
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Product Name: | 3'-DE-TERT-BUTOXYCARBONYLAMINO-3'-[3-(5,5-DIMETHYL-2,4-DIOXO-1,3-OXAZOLIDINYL)]-7,10-O-BIS[[(2,2,2-TRICHLOROETHYL)OXY]CARBONYL]-DOCETAXEL |
CAS: | 160651-94-5 |
English Synonyms: | 3'-DE-TERT-BUTOXYCARBONYLAMINO-3'-[3-(5,5-DIMETHYL-2,4-DIOXO-1,3-OXAZOLIDINYL)]-7,10-O-BIS[[(2,2,2-TRICHLOROETHYL)OXY]CARBONYL]-DOCETAXEL |
MDL Number.: | MFCD12031574 |
H bond acceptor: | 20 |
H bond donor: | 2 |
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)N6C(=O)C(OC6=O)(C)C)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl |
InChi: | InChI=1S/C49H51Cl6NO19/c1-23-27(70-38(61)32(58)31(25-14-10-8-11-15-25)56-39(62)44(5,6)75-40(56)63)19-47(66)36(73-37(60)26-16-12-9-13-17-26)34-45(7,35(59)33(30(23)43(47,3)4)72-42(65)69-22-49(53,54)55)28(71-41(64)68-21-48(50,51)52)18-29-46(34,20-67-29)74-24(2)57/h8-17,27-29,31-34,36,58,66H,18-22H2,1-7H3/t27-,28-,29+,31-,32+,33+,34-,36-,45+,46-,47+/m0/s1 |
InChiKey: | InChIKey=VRSGCJUFENMYHX-JMVOMOTHSA-N |
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