CHEBI:135893 - iopentol

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ChEBI Name iopentol
ChEBI ID CHEBI:135893
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28I3N3O9
Net Charge 0
Average Mass 835.165
Monoisotopic Mass 834.89596
InChI InChI=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)
InChIKey IUNJANQVIJDFTQ-UHFFFAOYSA-N
SMILES N(CC(COC)O)(C(C)=O)C1=C(I)C(C(NCC(CO)O)=O)=C(C(=C1I)C(NCC(CO)O)=O)I
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing iopentol (CHEBI:135893) is a amidobenzoic acid (CHEBI:48470)
Manual Xrefs Databases
1466 DrugCentral
HMDB0041909 HMDB
View more database links
Registry Number Type Source
89797-00-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017