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CHEBI:5951 - Iopanoic acid

Default Structure
ChEBI IDCHEBI:5951
ChEBI NameIopanoic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC11H12I3NO2
Net Charge0
Average Mass570.934
Monoisotopic Mass570.80022
SMILESCCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
InChIInChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKeyOIRFJRBSRORBCM-UHFFFAOYSA-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)
Iopanoic acid (CHEBI:5951) is a monocarboxylic acid (CHEBI:25384)
Iopanoic acid (CHEBI:5951) is a organic molecular entity (CHEBI:50860)
Iopanoic acid (CHEBI:5951) is a racemate (CHEBI:60911)
INNs  Source
acide iopanoiqueWHO MedNet
acido iopanoicoWHO MedNet
Synonyms  Source
Acidum iopanoicumChEMBL
BilijodonChEMBL
CholadineChEMBL
CholevidChEMBL
CistobilChEMBL
ColepaxChEMBL
Brand Name  Source
TelepaqueChEMBL
Manual XrefsDatabases
1465DrugCentral
C08217KEGG COMPOUND
D01014KEGG DRUG
LSM-1545LINCS
Registry NumbersSources
CAS:96-83-3KEGG COMPOUND
Citations