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CHEBI:53691 - amidotrizoic acid

ChEBI IDCHEBI:53691
ChEBI Nameamidotrizoic acid
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H9I3N2O4
Net Charge0
Average Mass613.915
Monoisotopic Mass613.76965
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
InChIInChI=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)
InChIKeyYVPYQUNUQOZFHG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted base).
Biological Role:
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:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Diatrizoic acidKEGG DRUG
Methalamic acidDrugBank
Urografin acidDrugBank
Urogranoic acidDrugBank
2,4,6-Triiodo-3,5-diacetamidobenzoic acidChemIDplus
3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acidChemIDplus
Manual XrefsDatabases
D02240KEGG DRUG
DB00271DrugBank
Diatrizoic_acidWikipedia
HMDB0014416HMDB
851DrugCentral
Registry NumbersSources
Reaxys:2225144Reaxys
CAS:117-96-4KEGG DRUG
CAS:117-96-4DrugBank
CAS:117-96-4ChemIDplus
Citations