CHEBI:53691 - amidotrizoic acid

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ChEBI Name amidotrizoic acid
ChEBI ID CHEBI:53691
Definition A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9258330, eMolecules:537757, ZINC000004097476
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Formula C11H9I3N2O4
Net Charge 0
Average Mass 613.91360
Monoisotopic Mass 613.76964
InChI InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKey YVPYQUNUQOZFHG-UHFFFAOYSA-N
SMILES CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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 amidotrizoic acid (CHEBI:53691) has role environmental contaminant (CHEBI:78298)
amidotrizoic acid (CHEBI:53691) has role radioopaque medium (CHEBI:37338)
amidotrizoic acid (CHEBI:53691) has role xenobiotic (CHEBI:35703)
amidotrizoic acid (CHEBI:53691) is a acetamides (CHEBI:22160)
amidotrizoic acid (CHEBI:53691) is a benzoic acids (CHEBI:22723)
amidotrizoic acid (CHEBI:53691) is a organoiodine compound (CHEBI:37142)
amidotrizoic acid (CHEBI:53691) is conjugate acid of amidotrizoic acid anion (CHEBI:59731)
Incoming amidotrizoic acid dihydrate (CHEBI:59733) has part amidotrizoic acid (CHEBI:53691)
amidotrizoic acid anion (CHEBI:59731) is conjugate base of amidotrizoic acid (CHEBI:53691)
IUPAC Name
3,5-diacetamido-2,4,6-triiodobenzoic acid
Synonyms Sources
2,4,6-Triiodo-3,5-diacetamidobenzoic acid ChemIDplus
3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid ChemIDplus
Acide amidotrizoique ChemIDplus
Acidum amidotrizoicum ChEBI
Acidum diacetylaminotrijodbenzoicum ChEBI
Amidotrizoate ChemIDplus
amidotrizoic acid (anhydrous) ChEBI
Diatrizoate ChemIDplus
Diatrizoesaure ChEBI
Diatrizoic acid KEGG DRUG
diatrizoic acid (anhydrous) ChEBI
Methalamic acid DrugBank
Triombrin ChemIDplus
Urografin acid DrugBank
Urogranoic acid DrugBank
Manual Xrefs Databases
851 DrugCentral
D02240 KEGG DRUG
DB00271 DrugBank
Diatrizoic_acid Wikipedia
HMDB0014416 HMDB
View more database links
Registry Numbers Types Sources
117-96-4 CAS Registry Number ChemIDplus
117-96-4 CAS Registry Number DrugBank
117-96-4 CAS Registry Number KEGG DRUG
2225144 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag