Iothalamic acid
Properties
- Molecular formula
- C11H9I3N2O4
- Molar mass
- 613.92 g/mol
- Exact mass
- 613.7696 Da
- Melting point
- above 300 °C (decomposes)
- logP
- 3.74Crippen estimate
- Polar surface area
- 102.5 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 3
Hazards
Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
2276-90-6SMILES
CN=C(O)c1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1IInChIKey
UXIGWFXRQKWHHA-UHFFFAOYSA-NInChI
InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-
- Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl-
- 3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
- MI 216
- 5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid
- 5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid
- Methalamic acid
- Iotalamic acid
- Cysto conray II
- 3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Work with Iothalamic acid
Similar compounds
Diatrizoic acid dihydrate50978-11-568 % similar
Acetrizoic acid85-36-956 % similar
Metrizoate1949-45-755 % similar
5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-748 % similar
Meglumine diatrizoate131-49-747 % similar
5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid35453-19-140 % similar
2-(Acetylamino)-6-chlorobenzoic acid19407-42-236 % similar
Acedoben556-08-135 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds