IODOXAMATE MEGLUMINE

51764-33-1

MFCD01725418

C26 H26 I6 N2 O10 . 2 C7 H17 N O5

1678.32

InChI=1S/C26H26I6N2O10.2C7H17NO5/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1

InChIKey=LNBGFESBSAEKAE-VRWDCWMNSA-N

CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.c1c(c(c(c(c1I)NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I

H bond donor:4

H bond acceptor:12

XLogP3:3.0

Bulk/Fine:F