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CHEBI:750418 - calcium metrizoate

Default Structure
ChEBI IDCHEBI:750418
ChEBI Namecalcium metrizoate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC12H10I3N2O4.C12H10I3N2O4.Ca
Net Charge0
Average Mass1293.946
Monoisotopic Mass1293.51754
SMILESCC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Ca+2]
InChIInChI=1S/2C12H11I3N2O4.Ca/c2*1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h2*1-3H3,(H,16,18)(H,20,21);/q;;+2/p-2
InChIKeyPPUUBZDQNSSJDN-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
calcium metrizoate (CHEBI:750418) is a amidobenzoic acid (CHEBI:48470)
Synonym  Source
Metrizoate calciumChEMBL