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CHEBI:53692 - sodium amidotrizoate

Default Structure
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
Applications:
gastrointestinal drug  A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
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 gastrointestinal drug (CHEBI:55324)
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
amidotrizoate de sodiumChemIDplus
amidotrizoato de sodioWHO MedNet
amidotrizoato sodicoChemIDplus
natrii amidotrizoasChemIDplus
sodium amidotrizoateKEGG DRUG
Synonyms  Source
3,5-Diacetylamino-2,4,6-trijodbenzosäure natriumChemIDplus
AmidotrizoateDrugBank
DiatriazoateDrugBank
diatrizoate sodiumChEMBL
Diatrizoate sodiumKEGG DRUG
Diatrizoate sodium saltChemIDplus
Brand Names  Source
Conray 35ChemIDplus
Diatrizoate sodium component of angiovistChEMBL
Diatrizoate sodium component of gastrografinChEMBL
Diatrizoate sodium component of gastrovistChEMBL
Diatrizoate sodium component of md-gastroviewChEMBL
Diatrizoate sodium component of renocalChEMBL
Manual XrefsDatabases
D01013KEGG DRUG
DB00271DrugBank
Registry NumbersSources
Beilstein:4082984Beilstein
CAS:737-31-5KEGG DRUG
CAS:737-31-5ChemIDplus
Citations