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Product_Name: | 碘曲仑 |
CAS: | 79770-24-4 |
中文同义词: | 2,4,6-三碘-5-[甲基-[3-[甲基-[2,4,6-三碘-3,5-双(1,3,4-三羟基丁-2-基氨基甲酰基)苯基]氨基]-3-氧代丙酰]氨基]-N,N'-双(1,3,4-三羟基丁-2-基)苯-1,3-二甲酰胺 ; 碘曲仑 |
EnglishSynonyms: | ISOVIST ; IOTROLAN |
pro_mdlNumber: | MFCD00867930 |
pro_acceptors: | 24 |
pro_donors: | 16 |
pro_smile: | CN(c1c(c(c(c(c1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)c2c(c(c(c(c2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I |
InChi: | InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67) |
InChiKey: | InChIKey=XUHXFSYUBXNTHU-UHFFFAOYSA-N |
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