酒石酸长春氟宁

194468-36-5

MFCD12756258

C45 H54 F2 N4 O8 . 2 C4 H6 O6

1117.11

InChI=1S/C45H54F2N4O8.2C4H6O6/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44;2*5-1(3(7)8)2(6)4(9)10/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t26-,27-,36+,37-,38-,42-,43-,44+,45+;2*1-,2-/m111/s1

InChIKey=YIHUEPHBPPAAHH-GBROPSEISA-N

CC[C@@]12C=CCN3[C@@H]1[C@@]4(CC3)c5cc(c(cc5N([C@H]4[C@]([C@@H]2OC(=O)C)(C(=O)OC)O)C)OC)[C@]6(C[C@H]7C[C@H](CN(C7)Cc8c6[nH]c9c8cccc9)C(C)(F)F)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

pro_donors:2

pro_acceptors:12

XLogP3:5.0

Bulk/Fine:F