calcium metrizoate

Molecular Formula: C15H19CaN2O4+


InChI: InChI=1/C15H20N2O4.Ca/c1-7-12(15(20)21)8(2)14(17(6)11(5)19)9(3)13(7)16-10(4)18;/h1-6H3,(H,16,18)(H,20,21);/q;+2/p-1/fC15H19N2O4.Ca/h16H;/q-1;m

InChIKey: InChIKey=KUPHZUZYCPQPBV-AHHTXGTKCC
SMILES: CC1=C(C(=C(C(=C1NC(=O)C)C)N(C)C(=O)C)C)C(=O)[O-].[Ca+2]

Names:
    calcium metrizoate
    calcium 3-acetamido-5-(acetyl-methyl-amino)-2,4,6-trimethyl-benzoate
    Calcium 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:2)
    EINECS 244-067-6
    20828-80-2

Registries:
    PubChem CID 30320
    PubChem ID 172468