Iofratol

Molecular Formula: C₃₁H₃₆I₆N₆O₁₃

InChI: InChI=1/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+,13?/f/h38-43H

InChIKey: InChIKey=NNZBBKHCMKTQJQ-DXFMQVQLDN
SMILES: CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NCC(CNC(=O)C2=C(C(=C(C(=C2I)NC(=O)C(C)O)I)C(=O)NC(CO)CO)I)O)I)O

Names:
    Iofratol [INN]
    Iofratol
    N'-(1,3-dihydroxypropan-2-yl)-N-[3-[[3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodo-benzoyl]amino]-2-hydroxy-propyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide
    N,N''-(2-Hydroxytrimethylene)bis(N'-(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-((S)-lactamido)isophthalamide)
    141660-63-1

Registries:
    PubChem CID 65994
    PubChem ID 208052