HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
EP Impurity E · mycophenolic EP Impurity E · Mycophenolic Acid Methyl Ester · Mycophenolate Mofetil EP IMP-E · Methyl mycophenolate impurity E · Mycophenolate Mofetil Impurity E · Mycophenolate Mofetil EP IMpurity E · Methyl (4E)-6-(4-Hydroxy-6-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 31858-66-9 |
|---|---|
| Summenformel | C18H22O6 |
| Durchschnittliche Molmasse | 334,4 g/mol |
| Monoisotopische Masse | 334,14163842 g/mol |
| SMILES | COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O |
| InChIKey | ZPXRQFLATDNYSS-BJMVGYQFSA-N |
| PubChem CID | 6478685 |
| ChEMBL | CHEMBL237760 |
| EC No. | 642-332-4 |
| DTXSID | DTXSID501112946 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 500 |
| Schmelzpunkt | 105-106°C |
| Siedepunkt | 540.4±50.0 °C(Predicted) |
| Dichte | 1.222±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.87±0.20(Predicted) |
| Farbe | White to Off-White |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
Anwendungen & Verwendung
Verwenden
Degradation product of Mycophenolate mofetil. EP Impurity E