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| CAS No.: | 2207-75-2 |
|---|---|
| Name: | Potassium oxonate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C4H2KN3O4 |
| Molecular Weight: | 195.176 |
| Synonyms: | 1,3,5-Triazine-2-carboxylicacid, 1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI);Allantoxanicacid, monopotassium salt (8CI);Allantoxanic acid, potassium salt (7CI);Oteracil potassium;Potassium 2,6-dihydroxytriazinecarboxylate;Potassiumazaorotate;Potassium otastat;Potassium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate;1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI);Oxonic acid, potassium salt;5-Azaorotic acid, potassium salt;Potassium s-triazine-2,4-dione-6-carboxylate; |
| EINECS: | 218-627-5 |
| Melting Point: | 300 °C(lit.) |
| Solubility: | Soluble in hot water. |
| Appearance: | off-white solid |
| Safety: | 24/25 |
| PSA: | 118.74000 |
| LogP: | -3.17830 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 585-05-7
oxaluric acid
- 57-13-6
urea
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: oxaluric acid; urea With toluene-4-sulfonic acid In ethanol at 50℃; for 6h; Stage #2: With potassium hydroxide In ethanol; water at 0℃; for 2h; pH=5.5; Temperature; Reagent/catalyst; Solvent; pH-value; | 94.64% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; potassium iodide; potassium hydroxide In water at 0 - 25℃; for 3h; Temperature; Reagent/catalyst; Darkness; | 91.32% |
- 105245-87-2
dehydro-allantoin
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water for 0.333333h; | 82% |
- 64-19-7
acetic acid
- 97-59-6
Allantoin
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: Allantoin With bromine; potassium iodide; potassium hydroxide In water at 0 - 25℃; for 30h; Stage #2: acetic acid In water at 0 - 5℃; pH=5; Time; | 76.1% |
| Conditions | Yield |
|---|---|
| In methanol | 80% |
| Conditions | Yield |
|---|---|
| In methanol | 78% |
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Chemistry
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IUPAC Name: Potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
Molecular Formula: C4H2KN3O4
Molecular Weight: 195.17 g/mol
Canonical SMILES: C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+]
InChI: InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1
EINECS: 218-627-5
Classification Code: Reproductive Effect
Product Categories: Classes of Metal Compounds; K (Potassium) Compounds (excluding simple potassium salts); Typical Metal Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 194.968237
MonoIsotopic Mass: 194.968237
Topological Polar Surface Area: 111
Heavy Atom Count: 12
Complexity: 274
Melting Point of Potassium oxonate (CAS NO.2207-75-2): 300 °C(lit.)
Uses
Potassium oxonate (CAS NO.2207-75-2) can be used as antitumor effect potentiator and antitumor agent.
Toxicity Data With Reference
| 1. | par-hmn TDLo:20 mg/kg:GIT | CLPTAT Clinical Pharmacology and Therapeutics. 6 (1965),436. |
Safety Profile
Human gastrointestinal tract effects by parenteral route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and K2O.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany of Potassium oxonate (CAS NO.2207-75-2): 3
Specification
Potassium oxonate (CAS NO.2207-75-2), its Synonyms are 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI) ; Allantoxanic acid, monopotassium salt (8CI) ; Oxonic acid, potassium salt ; Potassium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate ; 1,4,5,6-Tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid, potassium salt ; 5-Azaorotic acid, potassium salt ; Allantoxanic acid, potassium salt ; Oxonate ; Oxonate, potassium ; Oxonic acid, potassium salt ; Potassium 2,6-dihydroxytriazinecarboxylate ; Potassium azaorotate ; Potassium s-triazine-2,4-dione-6-carboxylate . It is off-white solid.
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