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CHEBI:53692 - sodium amidotrizoate

ChEBI IDCHEBI:53692
ChEBI Namesodium amidotrizoate
Stars
DefinitionThe sodium salt of a benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, often as a mixture with the meglumine salt, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography.
Secondary ChEBI IDCHEBI:4493
Last Modified10 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H8I3N2O4.Na
Net Charge0
Average Mass635.897
Monoisotopic Mass635.75160
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+]
InChIInChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1
InChIKeyZEYOIOAKZLALAP-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 amidotrizoate (CHEBI:53692) has part amidotrizoic acid anion (CHEBI:59731)
sodium amidotrizoate (CHEBI:53692) has role radioopaque medium (CHEBI:37338)
sodium amidotrizoate (CHEBI:53692) is a organic sodium salt (CHEBI:38700)
sodium amidotrizoate (CHEBI:53692) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
sodium 3,5-diacetamido-2,4,6-triiodobenzoate
INNs  Source
sodium amidotrizoateKEGG DRUG
amidotrizoate de sodiumChemIDplus
amidotrizoato sodicoChemIDplus
natrii amidotrizoasChemIDplus
Synonyms  Source
Diatrizoate sodiumKEGG DRUG
3,5-Diacetylamino-2,4,6-trijodbenzosäure natriumChemIDplus
Diatrizoate sodium saltChemIDplus
Diatrizoic acid sodium saltChemIDplus
Monosodium 3,5-diacetamido-2,4,6-triiodobenzoateChemIDplus
Sodium DiatrizoateChemIDplus
Brand Names  Source
HypaqueChemIDplus
Hypaque CystoChemIDplus
Urovist SodiumChemIDplus
VascorayChemIDplus
Hypaque sodiumChemIDplus
TriombrineChemIDplus
Manual XrefsDatabases
D01013KEGG DRUG
DB00271DrugBank
Registry NumbersSources
Beilstein:4082984Beilstein
CAS:737-31-5KEGG DRUG
CAS:737-31-5ChemIDplus
Citations