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CHEBI:750419 - ipodate calcium

Default Structure
ChEBI IDCHEBI:750419
ChEBI Nameipodate calcium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC12H12I3N2O2.C12H12I3N2O2.Ca
Net Charge0
Average Mass1233.982
Monoisotopic Mass1233.56918
SMILESCN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Ca+2]
InChIInChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2/b2*16-6+;
InChIKeyHVZGHKKROPCBDE-HZIJXFFPSA-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)
ipodate calcium (CHEBI:750419) is a benzenes (CHEBI:22712)
ipodate calcium (CHEBI:750419) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
Calcium ipodateChEMBL
Iopodate calciumChEMBL
Ipodate calcium saltChEMBL
Brand Name  Source
Oragrafin calciumChEMBL