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CHEBI:34847 - metrizoic acid

ChEBI IDCHEBI:34847
ChEBI Namemetrizoic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H11I3N2O4
Net Charge0
Average Mass627.942
Monoisotopic Mass627.78530
SMILESCC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I
InChIInChI=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)
InChIKeyGGGDNPWHMNJRFN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Metrizoic acidKEGG COMPOUND
3-acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acidChemIDplus
3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acidChemIDplus
acide metrizoiqueChemIDplus
acidum metrizoicumChemIDplus
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acidChemIDplus
Manual XrefsDatabases
C14165KEGG COMPOUND
GB973881Patent
Metrizoic_AcidWikipedia
1789DrugCentral
Registry NumbersSources
Beilstein:2822724Beilstein
CAS:1949-45-7KEGG COMPOUND
CAS:1949-45-7ChemIDplus