CHEBI:83517 - iooxitalamic acid

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ChEBI Name iooxitalamic acid
Definition An organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H11I3N2O5
Net Charge 0
Average Mass 643.93960
Monoisotopic Mass 643.78021
InChI InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)
SMILES CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)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 iooxitalamic acid (CHEBI:83517) has role environmental contaminant (CHEBI:78298)
iooxitalamic acid (CHEBI:83517) has role radioopaque medium (CHEBI:37338)
iooxitalamic acid (CHEBI:83517) has role xenobiotic (CHEBI:35703)
iooxitalamic acid (CHEBI:83517) is a acetamides (CHEBI:22160)
iooxitalamic acid (CHEBI:83517) is a benzoic acids (CHEBI:22723)
iooxitalamic acid (CHEBI:83517) is a dicarboxylic acid monoamide (CHEBI:35735)
iooxitalamic acid (CHEBI:83517) is a organoiodine compound (CHEBI:37142)
3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
INNs Sources
acide ioxitalamique ChemIDplus
acido ioxitalamico ChemIDplus
acidum ioxitalamicum ChemIDplus
ioxitalamic acid ChemIDplus
Synonym Source
5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid ChEBI
Manual Xrefs Databases
4582 DrugCentral
Ioxitalamic_acid Wikipedia
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Registry Numbers Types Sources
28179-44-4 CAS Registry Number KEGG DRUG
28179-44-4 CAS Registry Number ChemIDplus
2903918 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
3320896 PubMed citation Europe PMC
4052146 PubMed citation Europe PMC
4645232 PubMed citation Europe PMC
Last Modified
22 February 2017