9-Fluoro-11beta,17-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Propionate
[CAS# 4351-48-8]

Identification

• Name: 9-Fluoro-11beta,17-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Propionate
• Synonyms: Propanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-Acetyl-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Propionic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-Acetyl-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9R,10S,11S,13S,14S,16S,17R)-17-Ethanoyl-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Propanoate
• Molecular Formula: C₂₅H₃₃FO₅
• Molecular Weight: 432.53
• CAS Registry Number: 4351-48-8
• EINECS: 224-414-8
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](OC(=O)CC)([C@H](C4)C)C(=O)C)C
• InChI: 1S/C25H33FO5/c1-6-21(30)31-25(15(3)27)14(2)11-19-18-8-7-16-12-17(28)9-10-22(16,4)24(18,26)20(29)13-23(19,25)5/h9-10,12,14,18-20,29H,6-8,11,13H2,1-5H3/t14-,18-,19-,20-,22-,23-,24-,25-/m0/s1
• InChIKey: ZAQGQQMIBBCIRM-RDEWRQEPSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 542.815°C at 760 mmHg (Cal.)
• Flash point: 282.085°C (Cal.)

References

• (1): S.-L. Wang, Y. Zheng and W.-Q. Zhang. Betamethasone dipropionate, Acta Cryst. (2004). E60, o1063-o1064