Molecular Identity
Iobitridol
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID: 65985
Iobitridol is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound, a hexol and a benzenedicarboxamide.
2D Structure
Properties
C20H28I3N3O9
Molecular Formula
835.20
Molecular Weight
g/mol
834.8960
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
191
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
675
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Iobitridol136949-58-1Xenetix182ECH14UHN,N'-Bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamideCHEBI:31701DTXSID908698655-(3-hydroxy-2-hydroxymethylpropionamido)-N,N'-dimethyl-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamideN1,N3-bis(2,3-dihydroxypropyl)-5-[3-hydroxy-2-(hydroxymethyl)propanamido]-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamideiobitridolumN1,N3-bis(2,3-dihydroxypropyl)-5-(3-hydroxy-2-(hydroxymethyl)propanamido)-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamideRefChem:791118GlyTouCan:G53855AWDTXCID30817769V08AB11
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iobitridol
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