基本信息 |
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产品名称: | 利福美坦 |
CAS: | 94168-98-6 |
中文同义词: | 利福美坦 |
英文同义词: | RIFAMETANE |
MDL号: | MFCD00864888 |
氢键受体数量: | 16 |
氢键供体数量: | 6 |
Smile: | CCN(CC)/C(=N\N=C\c1c2c(c3c(c1O)c4c(c(c3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)/C |
InChi: | InChI=1S/C44H60N4O12/c1-13-48(14-2)27(9)47-45-20-29-34-39(54)32-31(38(29)53)33-41(26(8)37(32)52)60-44(11,42(33)55)58-19-18-30(57-12)23(5)40(59-28(10)49)25(7)36(51)24(6)35(50)21(3)16-15-17-22(4)43(56)46-34/h15-21,23-25,30,35-36,40,50-54H,13-14H2,1-12H3,(H,46,56)/b16-15+,19-18+,22-17-,45-20+,47-27-/t21-,23+,24+,25+,30-,35-,36+,40+,44-/m0/s1 |
InChiKey: | InChIKey=MPNLXDYNHVIMAT-WWUWFAPISA-N |
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