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Ioxilan-[d4]

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Ioxilan-[d4]

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General Information
Catalog: BLP-013815
CAS: 1346598-82-0
Molecular Formula: C18H20D4I3N3O8
Molecular Weight: 795.14

Chemical Structure

Description	Ioxilan-[d4] is the labelled analogue of Ioxilan, which is a low-osmolar, nonionic and tri-iodinated diagnostic contrast agent.
Synonyms	Ioxilan-d4; 5-[Acetyl(2,3-dihydroxypropyl)amino]-N1-(2,3-dihydroxypropyl)-N3-(2-hydroxyethyl-d4)-2,4,6-triiodo-1,3-benzenedicarboxamide; Ioxitol-d4; Oxilan 300-d4
IUPAC Name	5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)benzene-1,3-dicarboxamide
Related CAS	107793-72-6 (unlabelled)
Canonical SMILES	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I
InChI	InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)/i2D2,3D2
InChI Key	UUMLTINZBQPNGF-RRVWJQJTSA-N