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CHEBI:135893 - iopentol

ChEBI IDCHEBI:135893
ChEBI Nameiopentol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H28I3N3O9
Net Charge0
Average Mass835.168
Monoisotopic Mass834.89597
SMILESCOCC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChIInChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)
InChIKeyIUNJANQVIJDFTQ-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)
iopentol (CHEBI:135893) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
1466DrugCentral
HMDB0041909HMDB
Registry NumbersSources
CAS:89797-00-2DrugCentral