| Name： | IOFRATOL |
| CAS： | 141660-63-1 ;143199-65-9 |
| Synonyms： | IOFRATOL |
| MDL.： | MFCD00867284 |
| H bond acceptor： | 19 |
| H bond donor： | 13 |
| Smile： | C[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NCC(CNC(=O)c2c(c(c(c(c2I)NC(=O)[C@H](C)O)I)C(=O)NC(CO)CO)I)O)I)O |
| InChi： | InChI=1S/C31H36I6N6O13/c1-9(48)26(51)42-24-20(34)14(18(32)16(22(24)36)30(55)40-11(5-44)6-45)28(53)38-3-13(50)4-39-29(54)15-19(33)17(31(56)41-12(7-46)8-47)23(37)25(21(15)35)43-27(52)10(2)49/h9-13,44-50H,3-8H2,1-2H3,(H,38,53)(H,39,54)(H,40,55)(H,41,56)(H,42,51)(H,43,52)/t9-,10-/m0/s1 |
| InChiKey： | InChIKey=NNZBBKHCMKTQJQ-UWVGGRQHSA-N |
IOFRATOL
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