chempirical

Iopromide

C18H24I3N3O8CAS 73334-07-3791.12 g/mol

Open in Covalent MOL file
OOHNIONOHOHIONHHOHOI
AlcoholAmideAryl halideEther

Properties

Molecular formula
C18H24I3N3O8
Molar mass
791.12 g/mol
Exact mass
790.8698 Da
logP
0.82Crippen estimate
Polar surface area
175.6 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
11

Identifiers

CAS number
73334-07-3
SMILES
COCC(O)=Nc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(O)=NCC(O)CO)c1I
InChIKey
DGAIEPBNLOQYER-UHFFFAOYSA-N
InChI
InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)

Weigh it out

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

Names and synonyms

10 names
  • 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-
  • 1,3-Benzenedicarboxamide, N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methyl-
  • N1,N3-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-1,3-benzenedicarboxamide
  • SHL 414C
  • Ultravist
  • Ultravist 370
  • Ultravist 300
  • ZK 35760
  • Iopromidum
  • 1-N,3-N-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide

Work with Iopromide

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-triiodoisophthalamide31127-80-751 % similar Iohexol66108-95-050 % similar Iomeprol78649-41-948 % similar Iodixanol92339-11-248 % similar 5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-944 % similar Ioversol87771-40-242 % similar Iopamidol60166-93-033 % similar

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

Elsewhere

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