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CHEBI:31717 - Ioversol

ChEBI IDCHEBI:31717
ChEBI NameIoversol
Stars
Secondary ChEBI IDCHEBI:94420
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H24I3N3O9
Net Charge0
Average Mass807.114
Monoisotopic Mass806.86467
SMILESO=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I
InChIInChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)
InChIKeyAMDBBAQNWSUWGN-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)
Ioversol (CHEBI:31717) is a amidobenzoic acid (CHEBI:48470)
Synonyms  Source
IoversolKEGG COMPOUND
Optiray (TN)KEGG COMPOUND
joversolDrugCentral
MP-328DrugCentral
Manual XrefsDatabases
D01555KEGG DRUG
LSM-5116LINCS
1471DrugCentral
Registry NumbersSources
CAS:87771-40-2KEGG COMPOUND
CAS:87771-40-2DrugCentral