HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Caffeine Citrate
CAFFEINE CITRATE · CITRATED CAFFEINE · Kaffein,Citrat · caffeinacitrate · citratedcaffein · COFFEINE CITRATE · CAFFEINE CITRATED · GUARANINE CITRATE
Identifikatoren & physikalische Daten
| CAS No. | 69-22-7 |
|---|---|
| Summenformel | C14H18N4O9 |
| Durchschnittliche Molmasse | 386,31 g/mol |
| Monoisotopische Masse | 386,10737816 g/mol |
| SMILES | Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChIKey | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
| PubChem CID | 6241 |
| ChEMBL | CHEMBL1200569 |
| EC No. | 614-938-9 |
| DTXSID | DTXSID5046938 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 191 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 520 |
| Schmelzpunkt | 159-161°C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BCS Class | 1,3 |
| LogP (Verteilungskoeffizient) | -0.131 (est) |
Sicherheit & Vorschriften
| UN-Transportnummer | 1544 |
|---|---|
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Caffeine citrate (Cafcit) is a citrate salt of Caffeine, sometimes used in medical treatment, including short-term treatment of apnea of prematurity (lack of breathing in premature infants). Caffeine citrate functions in much the same capacity as does caffeine, but takes effect more quickly; its speed of dissociation is faster than that of Caffeine. Caffeine citrate is typically only used to treat severe migraines.