碘克溴酸
Ioxabrolic acid
Ioxabrolic acid, UNII-LP80S8XS18
CAS号: 96191-65-0
IUPAC名称: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
分子式: C24H21Br3I3N5O8
分子量: 1127.88000
InChI: InChI=1S/C24H21Br3I3N5O8/c1-7(37)35(3)20-14(26)9(21(39)31-2)13(25)10(15(20)27)22(40)33-6-8(38)34-19-17(29)11(23(41)32-4-5-36)16(28)12(18(19)30)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)(H,34,38)(H,42,43)
InChIKey: OJCPHFBLBNKCNX-UHFFFAOYSA-N
SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1Br)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)Br)C(=O)NC)Br
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