chempirical

Iomeprol

C17H22I3N3O8CAS 78649-41-9777.09 g/mol

Open in Covalent MOL file
NOHOIONHOHOHIOHNOHHOI
AlcoholAmideAryl halide

Properties

Molecular formula
C17H22I3N3O8
Molar mass
777.09 g/mol
Exact mass
776.8541 Da
logP
-0.23Crippen estimate
Polar surface area
186.6 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78649-41-9
SMILES
CN(C(=O)CO)c1c(I)c(C(O)=NCC(O)CO)c(I)c(C(O)=NCC(O)CO)c1I
InChIKey
NJKDOADNQSYQEV-UHFFFAOYSA-N
InChI
InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)

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Names and synonyms

7 names
  • 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, N,N′-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)methylamino]-2,4,6-triiodo-
  • N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide
  • Iomeron 350
  • Imeron
  • Iomeron
  • Imeron 300

Work with Iomeprol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ioversol87771-40-270 % similar Iohexol66108-95-061 % similar Iodixanol92339-11-261 % similar 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-958 % similar 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-754 % similar Iopromide73334-07-348 % similar Metrizamide31112-62-638 % similar N1,N3-Bis(2,3-dihydroxypropyl)-5-nitro-1,3-benzenedicarboxamide76820-34-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Iopamidol60166-93-0

Elsewhere

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