CHEBI:34847 - metrizoic acid

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ChEBI Name metrizoic acid
ChEBI ID CHEBI:34847
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H11I3N2O4
Net Charge 0
Average Mass 627.94023
Monoisotopic Mass 627.785
InChI InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)
InChIKey GGGDNPWHMNJRFN-UHFFFAOYSA-N
SMILES CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): radioopaque medium
A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
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ChEBI Ontology
Outgoing metrizoic acid (CHEBI:34847) has role radioopaque medium (CHEBI:37338)
metrizoic acid (CHEBI:34847) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
Synonyms Sources
3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acid ChemIDplus
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid ChemIDplus
3-acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acid ChemIDplus
acide metrizoique ChemIDplus
acidum metrizoicum ChemIDplus
Metrizoic acid KEGG COMPOUND
Manual Xrefs Databases
1789 DrugCentral
C14165 KEGG COMPOUND
GB973881 Patent
Metrizoic_Acid Wikipedia
View more database links
Registry Numbers Types Sources
1949-45-7 CAS Registry Number KEGG COMPOUND
1949-45-7 CAS Registry Number ChemIDplus
2822724 Beilstein Registry Number ChemIDplus
Last Modified
22 February 2017