CAS Number1949-45-7
Synonyms3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid; Metrizoic acid; metrizoate; 3-Acetamido-5-(N-methylacetamido)-2,4,6-triiodobenzoic Acid; 3,5-DiacetaMido-N-Methyl-2,4,6-triiodobenzoic Acid; Metrizoic; Metrizoesaeure; MFCD00867964; Triosil-280; 5-Acetamino-3-<N-acetyl-methylamino>-2.4.6-triiod-benzoesaeure; EINECS 217-761-1
Molecular FormulaC12H11I3N2O4
Molecular Weight627.94000
Purity98.00%
Density2.483g/cm3
Boiling Point678.8ºC at 760mmHg
AppearanceWhite off-white crystal-powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1949-45-7 |
| Catalog No. | 2A-9027721 |
| Chinese Name | 甲泛影酸 |
| Synonyms | 3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid; Metrizoic acid; metrizoate; 3-Acetamido-5-(N-methylacetamido)-2,4,6-triiodobenzoic Acid; 3,5-DiacetaMido-N-Methyl-2,4,6-triiodobenzoic Acid; Metrizoic; Metrizoesaeure; MFCD00867964; Triosil-280; 5-Acetamino-3-<N-acetyl-methylamino>-2.4.6-triiod-benzoesaeure; EINECS 217-761-1 |
| Molecular Formula | C12H11I3N2O4 |
| Molecular Weight | 627.94000 |
| Purity | 98.00 |
| Density | 2.483g/cm3 |
| Boiling Point | 678.8ºC at 760mmHg |
| Appearance | White off-white crystal-powder |
| Storage Condition | room temperature, dry |
| Application | Metrizoic acid (Metrizoate) is an ionic contrast agent. Metrizoic acid (Metrizoate) exhibits high osmotic pressure and has the risk of inducing allergic reactions. |
| HTC | 2924299090 |
| PubChem ID | 794610 |
| SMILES | CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I |
| InChI | 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) |
| InChI Key | GGGDNPWHMNJRFN-UHFFFAOYSA-N |
| Bioactivity | Metrizoic acid (Metrizoate) is an ionic contrast medium. Metrizoic acid (Metrizoate) shows high osmolality and has a risk of inducing allergic reactions[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Vik-Mo H, et al. Hemodynamic and electrocardiographic consequences of high- and low-osmolality contrast agents for left ventricular angiography. Cathet Cardiovasc Diagn. 1988;14(3):143-9. [2]. Sortland O, et al. Iopentol in urography. A clinical comparison between iopentol and metrizoate includingdelayed reactions. Acta Radiol. 1992 Jul;33(4):368-73. [3]. Holtås S,et al. Contrast enhanced brain CT. Comparison between iohexol and metrizoate. Neuroradiology. 1983;24(4):213-5. Chemical & Physical Properties Density 2.483g/cm3 Boiling Point 678.8ºC at 760mmHg Molecular Formula C12H11I3N2O4 Molecular Weight 627.94000 Flash Point 364.3ºC Exact Mass 627.78500 PSA 86.71000 LogP 3.21270 Vapour Pressure 2.35E-19mmHg at 25°C Index of Refraction 1.77 InChIKey GGGDNPWHMNJRFN-UHFFFAOYSA-N SMILES CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I |
| Use of | Metrizoic acid (Metrizoate) is an ionic contrast medium. Metrizoic acid (Metrizoate) shows high osmolality and has a risk of inducing allergic reactions[1][2][3]. Properties Name metrizoic acid Synonym More Synonyms Metrizoic acid Biological Activity Description Metrizoic acid (Metrizoate) is an ionic contrast medium. Metrizoic acid (Metrizoate) shows high osmolality and has a risk of inducing allergic reactions[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Vik-Mo H, et al. Hemodynamic and electrocardiographic consequences of high- and low-osmolality contrast agents for left ventricular angiography. Cathet Cardiovasc Diagn. 1988;14(3):143-9. [2]. Sortland O, et al. Iopentol in urography. A clinical comparison between iopentol and metrizoate includingdelayed reactions. Acta Radiol. 1992 Jul;33(4):368-73. [3]. Holtås S,et al. Contrast enhanced brain CT. Comparison between iohexol and metrizoate. Neuroradiology. 1983;24(4):213-5. Chemical & Physical Properties Molecular Formula C12H11I3N2O4 Exact Mass 627.78500 PSA 86.71000 LogP 3.21270 Index of Refraction 1.77 InChIKey GGGDNPWHMNJRFN-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
| Related Products in Specialty Chemicals | ||
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| Tetraethylammonium nitrate | 1941-26-0 | 2A-9027711 |
| Tetrabutylammonium nitrate | 1941-27-1 | 2A-9027712 |
| Tetrapropylammonium bromide | 1941-30-6 | 2A-9027713 |
| N-Acetyl-L-lysine | 1946-82-3 | 2A-9027716 |
| 2,3-Dibromo-1,4-butanediol | 1947-58-6 | 2A-9027717 |
| 2-Deoxy-D-galactose | 1949-89-9 | 2A-9027722 |
| 3,4,5,6-Tetrachlorophthalonitrile | 1953-99-7 | 2A-9027731 |
| Methyl 3-(chlorocarbonyl)-5-nitrobenzoate | 1955-04-0 | 2A-9027732 |
| Methyl 5-nitroisophthalate | 1955-46-0 | 2A-9027733 |
| 3-Chlorophenylalanine | 1956-15-6 | 2A-9027734 |
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