HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Lomifyllin
Cervilane · LoMifyllin · Lomifilline · LOMIFYLLINE · Lomifylline Impurity · LOMIFYLLINE USP/EP/BP · 7-(5-Oxohexyl)theophylline · 7-(5-Oxohexyl)-1,3-diMethylxanthine
Identifikatoren & physikalische Daten
| CAS No. | 10226-54-7 |
|---|---|
| Summenformel | C13H18N4O3 |
| Durchschnittliche Molmasse | 278,31 g/mol |
| Monoisotopische Masse | 278,13789044 g/mol |
| SMILES | CC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C |
| InChIKey | XBEDAMVJWVPVDS-UHFFFAOYSA-N |
| PubChem CID | 65599 |
| ChEMBL | CHEMBL311948 |
| ChEBI | CHEBI:94702 |
| EC No. | 233-547-0 |
| DTXSID | DTXSID10144848 |
| Lokaler Name | Lomifyllin |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 426 |
| Schmelzpunkt | 75-77°C |
| Siedepunkt | 525.3±56.0 °C(Predicted) |
| Dichte | 1.31±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.56±0.70(Predicted) |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Lomifylline is a methylxanthine analogue which induces Ca2+-release from intracellular stores via the ryanodine receptor.