CHEBI:31730 - Isopaque

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ChEBI Name Isopaque
ChEBI ID CHEBI:31730
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C12H10I3N2NaO4
C12H10I3N2O4.Na
Net Charge 0
Average Mass 649.922
Monoisotopic Mass 649.76724
InChI InChI=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
InChIKey UKIYDXCFKFLIMU-UHFFFAOYSA-M
SMILES C=1(C(=C(C(=C(I)C1N(C(=O)C)C)NC(C)=O)I)C([O-])=O)I.[Na+]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Isopaque (CHEBI:31730) is a amidobenzoic acid (CHEBI:48470)
Synonyms Sources
Isopaque KEGG COMPOUND
Metrizoate sodium KEGG COMPOUND
Manual Xref Database
D01880 KEGG DRUG
View more database links
Registry Number Type Source
7225-61-8 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017