HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methylbarbitursure
1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione · 1-methylbarbituric acid · Alogliptin-17 · N-Methylbarituric Acid · alogliptina impurity 5 · alogliptin impurities2 · 3-METHYLBARBITURIC ACID · N-Methylbarbituric acid
Identifikatoren & physikalische Daten
| CAS No. | 2565-47-1 |
|---|---|
| Summenformel | C5H6N2O3 |
| Durchschnittliche Molmasse | 142,11 g/mol |
| Monoisotopische Masse | 142,03784205 g/mol |
| SMILES | CN1C(=O)CC(=O)NC1=O |
| InChIKey | DCGGMHIZEAHUJL-UHFFFAOYSA-N |
| PubChem CID | 75722 |
| EC No. | 219-894-0 |
| DTXSID | DTXSID70180348 |
| Lokaler Name | 1-Methylbarbitursure |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 211 |
| Schmelzpunkt | 132 °C |
| Dichte | 1.379±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1:4.35(+1) (25°C) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10) |
| InChIKey | DCGGMHIZEAHUJL-UHFFFAOYSA-N |
| SMILES | C1(=O)N(C)C(=O)CC(=O)N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933599590 |
Anwendungen & Verwendung
Verwenden
1-Methylbarbituric Acid is an impurity of Trelagliptin. Trelagliptin (Zafatek) is a pharmaceutical drug used for the treatment of type 2 diabetes.