基本信息 |
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产品名称: | 7-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(N-METHYL-N-METHYLSULFONYL-AMINO)-PYRIMIDIN-5-YL]-3,5-DIHYDROXY-HEPT-6-ENOIC ACID SODIUM SALT |
CAS: | 147098-18-8 |
英文同义词: | 7-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(N-METHYL-N-METHYLSULFONYL-AMINO)-PYRIMIDIN-5-YL]-3,5-DIHYDROXY-HEPT-6-ENOIC ACID SODIUM SALT |
MDL号: | MFCD11114050 |
氢键受体数量: | 9 |
氢键供体数量: | 2 |
Smile: | [Na+].CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\C(O)CC(O)CC([O-])=O)N(C)S(C)(=O)=O |
InChi: | InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+; |
InChiKey: | InChIKey=RGEBGDYYHAFODH-RRABGKBLSA-M |
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