Molecular Identity
Iodixanol
5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
PubChem CID: 3724
Iodixanol is a dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography. It has a role as a radioopaque medium.
2D Structure
Properties
C35H44I6N6O15
Molecular Formula
1550.20
Molecular Weight
g/mol
1549.7133
Exact Mass
Da
-3.4
XLogP
Drug-like (Lipinski: < 5)
339
TPSA
May have limited oral absorption
13
H-Bond Donors
15
H-Bond Acceptors
1330
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)IIsomeric SMILES
SMILES: CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)ISynonyms(20)
iodixanol92339-11-2VisipaqueIndixanolIodixanolumVisipaque 270Visipaque 320OptiPrepDTXSID20455232-5410-3ANSC-760069HW8W27HTXX5,5'-((2-Hydroxytrimethylene)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)2-541O-3ADTXCID0025523
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iodixanol
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