N-{(6S,9S,10R,13S,18R,22S,24aS)-18-{[(3S)-1-氮杂双环[2.2.2]辛-3-基硫基]甲基}-22-[4-(二甲基氨基)苄基]-6-乙基-10,23-二甲基-5,8,12,15,17,21,24-七氧代-13-苯基二十二氢-12H-吡啶并[2,1-F]吡咯并[2,1-L][1,4,7,10,13,16]氧杂五氮杂十九环-9-基}-3-羟基-2-吡啶甲酰胺-(6R,7S,10R,11R,12Z,17Z,19Z,21S)-6-{[2-(二乙基氨基)乙基]磺酰基}-21-羟基-10-异丙基-11,19-二甲基-9,26-二氧杂-3,15,28-三氮杂三环[23.2.1.0^3,7]二十八-1(27),12,17,19,25(28)-五烯-2,8,14,23-四酮(1:1)
[CAS# 126602-89-9]

基本信息

• 产品名称: N-{(6S,9S,10R,13S,18R,22S,24aS)-18-{[(3S)-1-氮杂双环[2.2.2]辛-3-基硫基]甲基}-22-[4-(二甲基氨基)苄基]-6-乙基-10,23-二甲基-5,8,12,15,17,21,24-七氧代-13-苯基二十二氢-12H-吡啶并[2,1-F]吡咯并[2,1-L][1,4,7,10,13,16]氧杂五氮杂十九环-9-基}-3-羟基-2-吡啶甲酰胺-(6R,7S,10R,11R,12Z,17Z,19Z,21S)-6-{[2-(二乙基氨基)乙基]磺酰基}-21-羟基-10-异丙基-11,19-二甲基-9,26-二氧杂-3,15,28-三氮杂三环[23.2.1.0^3,7]二十八-1(27),12,17,19,25(28)-五烯-2,8,14,23-四酮(1:1)
• 英文名: N-{(6S,9S,10R,13S,18R,22S,24aS)-18-{[(3S)-1-Azabicyclo[2.2.2]Oct-3-Ylsulfanyl]Methyl}-22-[4-(Dimethylamino)Benzyl]-6-Ethyl-10,23-Dimethyl-5,8,12,15,17,21,24-Heptaoxo-13-Phenyldocosahydro-12H-Pyrido[2, 1-F]Pyrrolo[2,1-L][1,4,7,10,13,16]Oxapentaazacyclononadecin-9-Yl}-3-Hydroxy-2-Pyridinecarboxamide - (6R,7S,10R,11R,12Z,17Z,19Z,21S)-6-{[2-(Diethylamino)Ethyl]Sulfonyl}-21-Hydroxy-10-Isopropyl-11,19-Di Methyl-9,26-Dioxa-3,15,28-Triazatricyclo[23.2.1.0^3,7]Octacosa-1(27),12,17,19,25(28)-Pentaene-2,8,14,23-Tetrone (1:1)
• 别名: Dalfopristin - quinupristin mixt.
• 分子式: C₈₇H₁₁₇N₁₃O₁₉S₂
• 分子量: 1713.07
• CAS 登录号: 126602-89-9
• 分子行输入简码 SMILES: O=C2N8C(C(=O)N[C@H](C(=O)O[C@H](C)[C@H](NC(=O)c1ncccc1O)C(=O)N[C@H](C(=O)N4[C@H](C(=O)N(C)[C@H]2Cc3ccc(cc3)N(C)C)CCC4)CC)c5ccccc5)CC(=O)[C@H](CS[C@@H]6CN7CCC6CC7)C8.O=S(=O)([C@@H]3CCN2C(=O)c1nc(oc1)CC(=O)C[C@H](O)/C=C(\C=C/CNC(=O)\C=C/[C@@H](C)[C@H](OC(=O)[C@H]23)C(C)C)C)CCN(CC)CC
• 国际化学标识码 InChI: 1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9-,12-11-,23-18-/t31-,35+,37+,38+,39?,40+,43-,44+,45+;24-,25-,28-,31-,32-/m11/s1
• 国际化学标识检索码 InChIKey: PPKJUHVNTMYXOD-LMFQTMAASA-N

物理化学性质

• 折射率: （计算值）