chempirical

Iopamidol

C17H22I3N3O8CAS 60166-93-0777.09 g/mol

Open in Covalent MOL file
HOOHNIOHNOHOHIONHHOHOI
AlcoholAryl halide

Properties

Molecular formula
C17H22I3N3O8
Molar mass
777.09 g/mol
Exact mass
776.8541 Da
pKa
10.7
Water solubility
very soluble
logP
0.78Crippen estimate
Polar surface area
198.9 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
60166-93-0
SMILES
C[C@H](O)C(O)=Nc1c(I)c(C(O)=NC(CO)CO)c(I)c(C(O)=NC(CO)CO)c1I
InChIKey
XQZXYNRDCRIARQ-LURJTMIESA-N
InChI
InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 1,3-Benzenedicarboxamide, N1,N3-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-
  • Isovue 300
  • 1,3-Benzenedicarboxamide, N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-, (S)-
  • 1,3-Benzenedicarboxamide, N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-
  • N1,N3-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarboxamide
  • B 15000
  • Solutrast 370
  • Solutrast
  • Niopam
  • Niopam 300
  • Iopamiro
  • Iopamidol 300
  • Isovue
  • Jopamiron 200
  • Iopamiron
  • Isovue 370
  • Iopamiron 370
  • Iopamiron 300
  • Iopamiro 370
  • Gastromiro
  • Oypalomin
  • Oypalomin 150
  • 1-N,3-N-Bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide

Work with Iopamidol

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

5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-745 % similar 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-938 % similar Lactamide MEA5422-34-434 % similar Metrizamide31112-62-633 % similar Iohexol66108-95-033 % similar Iopromide73334-07-333 % similar Iodixanol92339-11-233 % similar Iothalamic acid2276-90-632 % similar

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

Same formula

Iomeprol78649-41-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook