Molecular Identity
Ioversol
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
PubChem CID: 3741
Ioversol is an amidobenzoic acid.
2D Structure
Properties
C18H24I3N3O9
Molecular Formula
807.10
Molecular Weight
g/mol
806.8647
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
200
TPSA
May have limited oral absorption
8
H-Bond Donors
9
H-Bond Acceptors
623
Complexity
SMILES
Canonical SMILES
SMILES: C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)COIsomeric SMILES
SMILES: C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)COSynonyms(20)
ioversol87771-40-2OptirayMP-328Optiray 320IoversolumOptiray 160Optiray 240Optiray 300Optiray 350DTXSID2045521MP 3281,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)(2-hydroxyethyl)amino)-2,4,6-triiodo-N3RIB7X24KN,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)glycolamido)-2,4,6-triiodoisophthalamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ioversol
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