diatrizoate sodium i 125 (CHEBI:749376)

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CHEBI:749376 - diatrizoate sodium i 125

Formula	Na.C11H8N2O4
Net Charge	0
Average Mass	629.899
Monoisotopic Mass	629.75207
SMILES	CNC(=O)c1c([125I])c(NC(C)=O)c([125I])c(C(=O)[O-])c1[125I].[Na+]
InChI	InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1/i12-2,13-2,14-2;
InChIKey	WCIMWHNSWLLELS-SQHZOQHUSA-M

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	diatrizoate sodium i 125 (CHEBI:749376) is a amidobenzoic acid (CHEBI:48470)

Synonyms	Source
Diatrizoate sodium i 125	ChEMBL
Diatrizoate sodium i-125	ChEMBL