amidotrizoic acid (CHEBI:53691)

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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.

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Formula

C11H9I3N2O4

Net Charge

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.

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

Last Modified

22 February 2017

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag