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17-Phenyl-18,19,20-trinor-pgf2-alpha 1,15-lactone
17-Phenyl-18,19,20-trinorPGF2α 1,15-lactone · 17-Phenyl-18,19,20-trinor-PGF2α 1,15-Lactone · 17-Phenyl-18,19,20-trinorprostaglandin F2α 1,15-lactone · (1E,3S,9Z,11aR,12S,14R,14aR)-3,6,7,8,11,11a,12,13,14,14a-Decahydro-12,14-dihydroxy-3-(2-phenylethyl)-5H-cyclopent[e]oxacyclotridecin-5-one · 5H-Cyclopent[e]oxacyclotridecin-5-one, 3,6,7,8,11,11a,12,13,14,14a-decahydro-12,14-dihydroxy-3-(2-phenylethyl)-, [3S-(1E,3R*,9Z,11aS*,12R*,14S*,14aS*)]- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 62411-15-8 |
|---|---|
| Summenformel | C23H30O4 |
| Durchschnittliche Molmasse | 370,5 g/mol |
| Monoisotopische Masse | 370,21440943 g/mol |
| SMILES | O=C1CCC/C=C\C[C@H]2C(O)CC(O)C2/C=C\[C@H](CCc2ccccc2)O1 |
| InChIKey | RIBUBQDYGJHEOM-KDACTHKWSA-N |
| PubChem CID | 6446549 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 520 |
Anwendungen & Verwendung
Verwenden
17-Phenyl-18,19,20-trinor-PGF2α 1,15-Lactone is an impurity of Bimatoprost (B386800), which is an antiglaucoma agent. Bimatoprost is an synthetic prostamide; structurally related to prostaglandin F2α.