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CHEBI:31705 - iodixanol

Default Structure
ChEBI IDCHEBI:31705
ChEBI Nameiodixanol
Stars
DefinitionA dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography.
Last Modified22 February 2017
DownloadsMolfile
FormulaC35H44I6N6O15
Net Charge0
Average Mass1550.188
Monoisotopic Mass1549.71330
SMILESCC(=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
InChIInChI=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)
InChIKeyNBQNWMBBSKPBAY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
ChEBI Ontology
Outgoing Relation(s)
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  Source
iodixanolChemIDplus
iodixanolumChemIDplus
Synonym  Source
5,5'-((2-hydroxytrimethylene)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)ChemIDplus
Manual XrefsDatabases
3302DrugCentral
D01474KEGG DRUG
DB01249DrugBank
IodixanolWikipedia
LSM-4960LINCS
Registry NumbersSources
Beilstein:7245697Beilstein
CAS:92339-11-2ChemIDplus