环丙贝特-辅酶A
[CAS# 111900-25-5]

基本信息

• 产品名称: 环丙贝特-辅酶A
• 英文名: Ciprofibrate-coenzyme A
• 别名: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] 2-[4-(2,2-Dichlorocyclopropyl)Phenoxy]-2-Methyl-Propanethioate; 2-[4-(2,2-Dichlorocyclopropyl)Phenoxy]-2-Methylpropanethioic Acid S-[2-[[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; 2-[4-(2,2-Dichlorocyclopropyl)Phenoxy]-2-Methyl-Propanethioic Acid S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• 分子式: C₃₄H₄₈Cl₂N₇O₁₈P₃S
• 分子量: 1038.68
• CAS 登录号: 111900-25-5
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC(C(O)C(=O)NCCC(=O)NCCSC(=O)C(OC3=CC=C(C2C(Cl)(Cl)C2)C=C3)(C)C)(C)C)(=O)O)(=O)O)[N]5C4=NC=NC(=C4N=C5)N
• 国际化学标识码 InChI: 1S/C34H48Cl2N7O18P3S/c1-32(2,26(46)29(47)39-10-9-22(44)38-11-12-65-31(48)33(3,4)59-19-7-5-18(6-8-19)20-13-34(20,35)36)15-57-64(54,55)61-63(52,53)56-14-21-25(60-62(49,50)51)24(45)30(58-21)43-17-42-23-27(37)40-16-41-28(23)43/h5-8,16-17,20-21,24-26,30,45-46H,9-15H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t20?,21-,24-,25-,26?,30-/m1/s1
• 国际化学标识检索码 InChIKey: AAHIMGZVACZGCQ-NKXYKTLRSA-N

物理化学性质

• 密度: 1.794g/cm³ （计算值）