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CHEBI:59731 - amidotrizoic acid anion

ChEBI IDCHEBI:59731
ChEBI Nameamidotrizoic acid anion
Stars
DefinitionThe anion obtained by removal of the proton from the carboxylic acid group of amidotrizoic acid.
Last Modified13 July 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H8I3N2O4
Net Charge-1
Average Mass612.907
Monoisotopic Mass612.76237
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I
InChIInChI=1S/C11H9I3N2O4/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)/p-1
InChIKeyYVPYQUNUQOZFHG-UHFFFAOYSA-M
Roles Classification
Application:
topical anaesthetic  A local anesthetic that is used to numb the surface of a body part.
ChEBI Ontology
Outgoing Relation(s)
amidotrizoic acid anion (CHEBI:59731) has role topical anaesthetic (CHEBI:48425)
amidotrizoic acid anion (CHEBI:59731) is a monocarboxylic acid anion (CHEBI:35757)
amidotrizoic acid anion (CHEBI:59731) is conjugate base of amidotrizoic acid (CHEBI:53691)
Incoming Relation(s)
meglumine amidotrizoate (CHEBI:31812) has part amidotrizoic acid anion (CHEBI:59731)
sodium amidotrizoate (CHEBI:53692) has part amidotrizoic acid anion (CHEBI:59731)
amidotrizoic acid (CHEBI:53691) is conjugate acid of amidotrizoic acid anion (CHEBI:59731)
IUPAC Name 
3,5-bis(acetylamino)-2,4,6-triiodobenzoate
Synonyms  Source
2,4,6-triiodo-3,5-diacetamidobenzoateChEBI
amidotrizoateChEBI
3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid anionChEBI
2,4,6-triiodo-3,5-diacetamidobenzoic acid anionChEBI
amidotrizoic acid(1−)ChEBI
3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid(1−)ChEBI
Registry NumbersSources
Beilstein:4005652Beilstein