iooxitalamic acid (CHEBI:83517)

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ChEBI Name	iooxitalamic acid

ChEBI ID	CHEBI:83517

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

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)

InChIKey

OLAOYPRJVHUHCF-UHFFFAOYSA-N

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.

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)

IUPAC Name

3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid

Synonym	Source
5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid	ChEBI

Last Modified

22 February 2017