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CHEBI:83517 - iooxitalamic acid

ChEBI IDCHEBI:83517
ChEBI Nameiooxitalamic acid
Stars
DefinitionAn 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H11I3N2O5
Net Charge0
Average Mass643.941
Monoisotopic Mass643.78022
SMILESCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I
InChIInChI=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)
InChIKeyOLAOYPRJVHUHCF-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)
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
INNs  Source
acido ioxitalamicoChemIDplus
acidum ioxitalamicumChemIDplus
acide ioxitalamiqueChemIDplus
ioxitalamic acidChemIDplus
Synonym  Source
5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acidChEBI
Manual XrefsDatabases
Ioxitalamic_acidWikipedia
D07418KEGG DRUG
4582DrugCentral
Registry NumbersSources
Reaxys:2903918Reaxys
CAS:28179-44-4KEGG DRUG
CAS:28179-44-4ChemIDplus
Citations