HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Prostacyclin
PGX · PGl2 · U 53217 · U-53217A · Vasocyclin · Cyclo-Prostin · ProstaglandinI · (+)-Alismoxide
Identifikatoren & physikalische Daten
| CAS No. | 35121-78-9 |
|---|---|
| Summenformel | C20H32O5 |
| Durchschnittliche Molmasse | 352,5 g/mol |
| Monoisotopische Masse | 352,22497412 g/mol |
| SMILES | CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O |
| InChIKey | KAQKFAOMNZTLHT-OZUDYXHBSA-N |
| PubChem CID | 5282411 |
| ChEMBL | CHEMBL1139 |
| ChEBI | CHEBI:15552 |
| DTXSID | DTXSID5022988 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 87 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 484 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Fatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301] |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihypertensive AgentsCardiovascular AgentsProstaglandins, SyntheticVasodilator Agents |
| Physical Description | Solid |
| Collision Cross Section | 186.84 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]196.67 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]191.9 Ų [M-H]- |
| Siedepunkt | 530.2±50.0 °C(Predicted) |
| Dichte | 1.221 |
| pKa (Säurekonstante) | 4.70±0.10(Predicted) |
Sicherheit & Vorschriften
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
|---|
Anwendungen & Verwendung
Verwenden
Inhibitor (platelet). [Names previously used: Prostacyclin, PGI2, Prostagland in I2, Prostaglandin X, PGX].