Avamigran
[CAS# 76847-51-3]

基本信息

• 产品名称: Avamigran
• 英文名: Avamigran
• 别名: Avamigran
• 分子式: C₁₃₅H₁₆₇Cl₃N₂₀O₂₉
• 分子量: 2640.28
• CAS 登录号: 76847-51-3
• 分子行输入简码 SMILES: [Cl].[Cl].O(C(=O)C(NCCN(CC)CC)C1=CC=CC=C1)CCC(C)C.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.N67[C@](O[C@@](NC(=O)[C@@H]2C=C3[C@H](N(C2)C)CC4=C[NH]C5=CC=CC3=C45)(C6=O)C)(O)[C@H]9N(C(=O)[C@@H]7CC8=CC=CC=C8)CCC9.N%14%15[C@](O[C@@](NC(=O)[C@@H]%10C=C%11[C@H](N(C%10)C)CC%12=C[NH]C%13=CC=CC%11=C%12%13)(C%14=O)C)(O)[C@H]%17N(C(=O)[C@@H]%15CC%16=CC=CC=C%16)CCC%17.N%19(C%18=C([N](C=N%18)C)C(=O)N(C%19=O)C)C.N%20(N(C(=C(N(C)C)C%20=O)C)C)C%21=CC=CC=C%21.C(O)(C(=O)O)(CC(=O)O)CC(=O)O.[H].[H].C%23=C(C(OC(CN(C)C)C)(C%22=CC=CC=C%22)C)C=CC(=C%23)Cl
• 国际化学标识码 InChI: 1S/2C33H35N5O5.C19H24ClNO.C19H32N2O2.C13H17N3O.C8H10N4O2.C6H8O7.C4H6O6.2Cl.2H/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10;5-1(3(7)8)2(6)4(9)10;;;;/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);5-13,15H,14H2,1-4H3;7-11,16,18,20H,5-6,12-15H2,1-4H3;5-9H,1-4H3;4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2,5-6H,(H,7,8)(H,9,10);;;;/p-2/t2*21-,25-,26+,27+,32-,33+;;;;;;1-,2-;;;;/m11.....1..../s1
• 国际化学标识检索码 InChIKey: VUGPGHTUVOIGKV-XNSWTCKKSA-L