Ioxaglic acid sodium

Ioxaglic Acid A low-osmolar, ionic contrast medium used in various radiographic procedures.

Molecular Formula: C₂₄H₂₀I₆N₅NaO₈

InChI: InChI=1/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1/fC24H20I6N5O8.Na/h31-34H;/q-1;m

InChIKey: InChIKey=MBVDCEVFLAONHO-PDGAPESSCA
SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+]

Names:
    Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-, monosodium salt
    Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-, sodium salt
    EINECS 268-060-2
    Hexabrix
    Ioxaglate sodium [USAN]
    IOXAGLATE SODIUM
    Ioxaglic acid sodium
    Sodium 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoate
    sodium 3-[[2-[[3-(acetyl-methyl-amino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate
    59017-64-0
    67992-58-9

Registries:
    PubChem CID 50016
    PubChem ID 188570