basic_info |
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Product_Name: | 9-T-BUTYLGLYCYLAMIDO-MINOCYCLINE HYDRATE |
CAS: | 1229002-07-6 |
EnglishSynonyms: | TYGACIL HYDRATE ; 9-T-BUTYLGLYCYLAMIDO-MINOCYCLINE HYDRATE ; TBG-MINO HYDRATE ; TIGECYCLINE HYDRATE ; TIGECYCLIN HYDRATE |
pro_mdlNumber: | MFCD19443864 |
pro_acceptors: | 13 |
pro_donors: | 7 |
pro_smile: | CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C.O |
InChi: | InChI=1S/C29H39N5O8.H2O/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36;/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35);1H2/t12-,14-,21-,29+;/m0./s1 |
InChiKey: | InChIKey=PMPLAEFBZIFHAR-RARGZLGGSA-N |
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