Introduction：Basic information about Iotalamic acid CAS 2276-90-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Iotalamic acid Basic information
| Product Name: | Iotalamic acid |
| Synonyms: | 3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzenecarboxylic acid;3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid;3-Acetylamino-5-methylcarbamoyl-2,4,6-triiodobenzoic acid;Metalamic acid;MI-216;3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-benzoicaci;iothalamicacid;IOTHALAMIC ACID (200 MG) |
| CAS: | 2276-90-6 |
| MF: | C11H9I3N2O4 |
| MW: | 613.91 |
| EINECS: | 218-897-4 |
| Product Categories: | Organics |
| Mol File: | 2276-90-6.mol |
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Iotalamic acid Chemical Properties
| Melting point | >300 °C (decomp) |
| Boiling point | 520.2±50.0 °C(Predicted) |
| density | 2.4079 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 0.78±0.10(Predicted) |
| color | Off-White to Pale Yellow |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C11H9I3N2O4.Na/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);/q;+1/p-1 |
| InChIKey | WCIMWHNSWLLELS-UHFFFAOYSA-M |
| SMILES | [Na+].Ic1c(c(c(c(c1C(=O)NC)I)C(=O)[O-])I)NC(=O)C |
| CAS DataBase Reference | 2276-90-6(CAS DataBase Reference) |
Safety Information
| WGK Germany | WGK 3 |
| HS Code | 2924296000 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | man,TDLo,unreported,2143uL/kg (2.143mL/kg),SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYELUNGS, THORAX, OR RESPIRATION: DYSPNEA,AJR, American Journal of Roentgenology. Vol. 162, Pg. 997, 1994. |
Iotalamic acid Usage And Synthesis
| Chemical Properties | Off-white Solid |
| Originator | Conray,Mallinckrodt Inc.,US,1962 |
| Uses | Iothalamic Acid is used as a contrast medium in diagnostic radiology. Iothalamic Acid displayed the same level of nephrotoxicity against rat and human renal epithelial cells as conventional ionic contrast medioum. |
| Definition | ChEBI: Iotalamic acid is an organic molecular entity. |
| Manufacturing Process | Crude 5-amino-2,4,6-triiodo-N-methylisophthalamic acid (21.0 g) wasdissolved in warm dimethylacetamide (40 ml) and acetic anhydride (30 ml)and concentrated sulfuric acid (2 drops) were added. This solution was heatedon the steam bath for 2 hours, then heated at 110°C for 5 minutes, thencooled. Water and ammonium hydroxide were added to destroy the excessacetic anhydride, after which the mixture was evaporated to a volume of 50ml. The cooled solution was acidified with concentrated hydrochloric acid anda tan solid was collected. The crude product was dissolved in 100 ml of watercontaining a slight excess of sodium hydroxide. The pH was adjusted to 4.5with acetic acid, and the solution was treated with charcoal. The colorlesssolution was acidified with concentrated hydrochloric acid and cooled, and theprecipitate was filtered off and dried under reduced pressure. The resulting 5-acetamido-2,4,6-triiodo-N-methylisophthalamic acid decomposes about 285°Cand does not melt below 300°C.
5-acetamido-2,4,6-triiodo-N-methylisophthalamic acid was slurried in waterand dissolved by the addition of an equivalent quantity of N-methylglucamine.The solution was evaporated to dryness to yield the meglumate salt of 5-acetamido-2,4,6-triiodo-N-methylisophthalamic acid. |
| Brand name | Conray(Mallinckrodt). |
| Therapeutic Function | Diagnostic aid (radiopaque medium) |
Iotalamic acid Preparation Products And Raw materials
| Raw materials | Meglumine-->Acetic anhydride-->5-Amino-2,4,6-triiodoisophthalic acid |
