[2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Grundinformationen
- CAS
5533-97-1- Standard-SMILES
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C- InChIKey
CIWBQSYVNNPZIQ-JCOVECCMSA-N- Summenformel
- C28H37FO7
- Durchschnittliche Molmasse
- 504,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- [2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
- IUPAC
- [2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
- Englischer Name
- Betamethasone Impurity 32
- Summenformel
- C29H39FO7
- Molmasse
- 518.61
Namen und Synonyme
[2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoateSCHEMBL4566HMS2090K11AKOS025312304AB01275498-01(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionateBetamethasone Impurity 32(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-21-(1-oxobutoxy)-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-(1-oxobutoxy)-17-(1-oxopropoxy)-, (11β,16β)-
Datenbank-Bezeichner
- CAS
5533-97-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 1.050
Physikochemische Eigenschaften
- Schmelzpunkt
- 161 · 161-163 °C
- Siedepunkt
- 613 · 613.0±55.0 °C(Predicted)
- Dichte
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.70(Predicted)
Chemie und Industrie
Anwendungen
Verwenden(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-21-(1-oxobutoxy)-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione is an impurity of Betamethasone (B327000), a glucocorticoid used as an anti-inflammatory agent.
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孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
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