Metrizoate
Properties
- Molecular formula
- C12H11I3N2O4
- Molar mass
- 627.94 g/mol
- Exact mass
- 627.7853 Da
- Melting point
- 281.5 °C
- logP
- 3.79Crippen estimate
- Polar surface area
- 90.2 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1949-45-7SMILES
CC(=O)N(C)c1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1IInChIKey
GGGDNPWHMNJRFN-UHFFFAOYSA-NInChI
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-
- Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-
- 3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acid
- 3,5-Diacetamido-N-methyl-2,4,6-triiodobenzoic acid
- Metrizoic acid
- 3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
- 3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
Work with Metrizoate
Similar compounds
Diatrizoate117-96-466 % similar
Diatrizoic acid dihydrate50978-11-561 % similar
Iothalamic acid2276-90-655 % similar
Metrizamide31112-62-653 % similar
Acetrizoic acid85-36-951 % similar
Meglumine diatrizoate131-49-744 % similar
5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-734 % similar
5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid35453-19-134 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.