basic_info |
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Product_Name: | PREDNIMUSTINE |
CAS: | 29069-24-7 |
EnglishSynonyms: | PREDNIMUSTINE |
pro_mdlNumber: | MFCD00866487 |
pro_acceptors: | 7 |
pro_donors: | 2 |
pro_smile: | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCc4ccc(cc4)N(CCCl)CCCl)O)CCC5=CC(=O)C=C[C@]35C)O |
InChi: | InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1 |
InChiKey: | InChIKey=HFVNWDWLWUCIHC-GUPDPFMOSA-N |
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