CHEBI:31705 - iodixanol

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ChEBI Name iodixanol
ChEBI ID CHEBI:31705
Definition A dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H44I6N6O15
Net Charge 0
Average Mass 1550.18190
Monoisotopic Mass 1549.71328
InChI InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)
InChIKey NBQNWMBBSKPBAY-UHFFFAOYSA-N
SMILES CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Roles Classification
Application(s): radioopaque medium
A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing iodixanol (CHEBI:31705) has role radioopaque medium (CHEBI:37338)
iodixanol (CHEBI:31705) is a organoiodine compound (CHEBI:37142)
IUPAC Name
5,5'-[(2-hydroxypropane-1,3-diyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide]
INNs Sources
iodixanol ChemIDplus
iodixanolum ChemIDplus
Synonym Source
5,5'-((2-hydroxytrimethylene)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide) ChemIDplus
Manual Xrefs Databases
3302 DrugCentral
D01474 KEGG DRUG
DB01249 DrugBank
Iodixanol Wikipedia
LSM-4960 LINCS
View more database links
Registry Numbers Types Sources
7245697 Beilstein Registry Number Beilstein
92339-11-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017