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CHEBI:31730 - Isopaque

ChEBI IDCHEBI:31730
ChEBI NameIsopaque
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC12H10I3N2O4.Na
Net Charge0
Average Mass649.924
Monoisotopic Mass649.76725
SMILESCC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Na+]
InChIInChI=1S/C12H11I3N2O4.Na/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h1-3H3,(H,16,18)(H,20,21);/q;+1/p-1
InChIKeyUKIYDXCFKFLIMU-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isopaque (CHEBI:31730) is a amidobenzoic acid (CHEBI:48470)
Synonyms  Source
IsopaqueKEGG COMPOUND
Metrizoate sodiumKEGG COMPOUND
Manual XrefsDatabases
D01880KEGG DRUG
Registry NumbersSources
CAS:7225-61-8KEGG COMPOUND