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CHEBI:31714 - Iothalamate meglumine

ChEBI IDCHEBI:31714
ChEBI NameIothalamate meglumine
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC11H9I3N2O4.C7H17NO5
Net Charge0
Average Mass809.130
Monoisotopic Mass808.88032
SMILESCNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChIKeyVLHUSFYMPUDOEL-WZTVWXICSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Iothalamate meglumine (CHEBI:31714) is a amidobenzoic acid (CHEBI:48470)
Synonyms  Source
Iothalamate meglumineKEGG COMPOUND
Conray (TN)KEGG COMPOUND
Meglumine iothalamateKEGG COMPOUND
Methylglucamine iotalamateKEGG COMPOUND
Manual XrefsDatabases
D01999KEGG DRUG
Registry NumbersSources
CAS:13087-53-1KEGG COMPOUND