OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6; ChemWhat Code: 782357
Identification
| Product Name | OROTIC ACID LITHIUM SALT |
| IUPAC Name | lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate |
| Molecular Structure |  |
| CAS Registry Number | 5266-20-6 |
| EINECS Number | 226-081-4 |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | 2,6-Dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylate de lithium [French][ACD/IUPAC Name] 226-081-4[EINECS] 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, lithium salt (1:1)[ACD/Index Name] 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monolithium salt 5266-20-6[RN] L2N7Z24B30[UNII] Lithium 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate [ACD/IUPAC Name] Lithium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate Lithium orotate[Wiki] link-icon Lithium-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarboxylat[German][ACD/IUPAC Name] orotic acid lithium salt |
| Molecular Formula | C5H3LiN2O4 |
| Molecular Weight | 162.030 |
| InChI | InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1 |
| InChI Key | IZJGDPULXXNWJP-UHFFFAOYSA-M |
| Canonical SMILES | O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Li+] |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US4886670 | NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS | 1989 |
| US5594031 | CHROMENOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS | 1997 |
Physical Data
| Appearance | White crystalline powder |
| Temperature (Solubility (MCS)), °C | Solvent (Solubility (MCS)) |
| 17 | H2O |
| 100 | H2O |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | |
| MAS (Magic-Angle Spinning), Solid state NMR, Spectrum | 1H | 0.056 |
| MAS (Magic-Angle Spinning), Solid state NMR, 2D-NMR, Spectrum | 1H,1H | 0.056 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogenchloride In N,N-dimethyl-formamide at 70℃; for 2h; | 100% |
Safety and Hazards
| GHS Hazard Statements | Not Classified Information may vary between notifications depending on impurities, additives, and other factors. |
Other Data
| Transportation | Under the room temperature and away from light |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 162.031 |
| logP | -1.728 |
| HBA | 6 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 98.33 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6 as Pharmaceuticals |
| OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6 as gout inflammation |
| in combination with celery seed extract, cherry (genus Prunus) fruit extract and optionally with further lithium salt selected from lithium aspartate, lithium proteinate, lithium citrate, lithium carbonate, and mixtures thereof |
| relieving gout symptoms |
| glutamate toxicity |
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