2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl-(carboxymethyl)amino]acetic acid hydrate

Molecular Formula: C26H28I6N4O11


InChI: InChI=1/2C13H13I3N2O5.H2O/c2*1-6(19)17-13-9(15)2-8(14)7(12(13)16)3-18(4-10(20)21)5-11(22)23;/h2*2H,3-5H2,1H3,(H,17,19)(H,20,21)(H,22,23);1H2/f/h2*17,20,22H;

InChIKey: InChIKey=MYRWOTBIRNHYKK-RPPXQUOOCF
SMILES: CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.O

Names:
    ACETIC ACID, ((3-ACETAMIDO-2,4,6-TRIIODOBENZYL)IMINO)DI-, HYDRATE (2:1)
    N-(2,4,6-Triiodo-3-acetamidobenzyl)iminodiacetic acid hemihydrate
    ((3-Acetamido-2,4,6-triiodobenzyl)imino)diacetic acid hydrate (2:1)
    19014-74-5
    2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl-(carboxymethyl)amino]acetic acid hydrate

Registries:
    PubChem CID 29386
    PubChem ID 171715