basic_info |
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Product_Name: | 对甲苯磺酸舒他西林 |
CAS: | 83105-70-8 |
中文同义词: | 对甲苯磺酸舒他西林 |
EnglishSynonyms: | SULTAMYCILLIN TOSYLATE ; SULTAMICILLIN TOSYLATE ; SULTAMICILLIN TOSILATE |
pro_mdlNumber: | MFCD01682151 |
pro_acceptors: | 13 |
pro_donors: | 2 |
pro_smile: | Cc1ccc(cc1)S(=O)(=O)O.CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCOC(=O)[C@H]3C(S(=O)(=O)[C@H]4N3C(=O)[C@H]4NC(=O)[C@@H](c5ccccc5)N)(C)C)C |
InChi: | InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(28-13(30)10-14(28)39-24)22(33)37-11-38-23(34)18-25(3,4)40(35,36)21-16(20(32)29(18)21)27-19(31)15(26)12-8-6-5-7-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1 |
InChiKey: | InChIKey=ZLGDCDFFYQXCHO-CGAOXQFVSA-N |
property |
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Specification: | JPXIV |
secure_info |
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