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CHEBI:140411 - sodium 2-iodohippurate

ChEBI IDCHEBI:140411
ChEBI Namesodium 2-iodohippurate
Stars
DefinitionAn organic sodium salt resulting from the formal reaction of equimolar amounts of 2-iodohippuric acid and sodium. It has been used as a contrast agent in urography. Isotopologues labelled with radioactive iodine were formerly used for determination of effective renal plasma flow. It has also been used labelled with radioactive iodine (iodine-125 or iodine-131) in tests of renal function and in renal imaging.
Last Modified12 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H7INO3.Na
Net Charge0
Average Mass327.053
Monoisotopic Mass326.93684
SMILESO=C([O-])CNC(=O)c1ccccc1I.[Na+]
InChIInChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1
InChIKeyXYITYKDGJLHYPW-UHFFFAOYSA-M
Roles Classification
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)
sodium 2-iodohippurate (CHEBI:140411) has part 2-iodohippurate (CHEBI:140410)
sodium 2-iodohippurate (CHEBI:140411) has role radioopaque medium (CHEBI:37338)
sodium 2-iodohippurate (CHEBI:140411) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
sodium 2-(125I)iodohippurate (CHEBI:134739) is a sodium 2-iodohippurate (CHEBI:140411)
sodium 2-(131I)iodohippurate (CHEBI:134740) is a sodium 2-iodohippurate (CHEBI:140411)
IUPAC Name 
sodium (2-iodobenzamido)acetate
Synonyms  Source
sodium N-(2-iodobenzoyl)glycinateChEBI
sodium orthoiodohippurateChemIDplus
sodium o-iodohippurateChemIDplus
o-iodohippurate sodiumChemIDplus
sodium iodohippurateChEBI
Registry NumbersSources
Reaxys:13397143Reaxys
CAS:133-17-5ChemIDplus