5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

CAS: 76801-93-9

Ref. TR-A601920

Product Information

• Name: 5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
• Synonyms: 3,5-Bis(2,3-dihydroxypropylaminocarbonyl)-2,4,6-triiodoaniline, 5-Amino-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, Iohexol Related Compound B, Ioversol Related Compound A
• Brand: TRC

Description

Stability Hygroscopic
Applications Used as an intermediate in the industrial preparation of non-ionic X-ray contrast agents such as Iohexol (I729500), Ioversol (I737000), Ioxilan (I737500), Iopamidol (I735600).
References Rongved, P., et al.: Carbohydrate Res., 297, 325 (1997),

Chemical properties

• Molecular weight: 705.02
• Formula: C₁₄H₁₈I₃N₃O₆
• Color/Form: Neat
• InChI: InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
• InChI key: InChIKey=KAEGSAWWVYMWIQ-UHFFFAOYSA-N
• SMILES: Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I