Flunisolide
[CAS# 77326-96-6]

Identification

• Name: Flunisolide
• Synonyms: Pregna-1,4-Diene-3,20-Dione, 6-Fluoro-11,21-Dihydroxy-16,17-((1-Methylethylidene)Bis(Oxy))-, Hemihydrate, (6Alpha,11Beta,16Alpha)-; Flunisolide; 6Alpha-Fluoro-11Beta,16Alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione Cyclic 16,17-Acetal With Acetone, Hemihydrate
• Molecular Formula: C₄₈H₆₄F₂O₁₃
• Molecular Weight: 887.02
• CAS Registry Number: 77326-96-6
• SMILES: [C@]14(C([C@H]3[C@H]([C@@H](O)C1)C2(C(=CC(=O)C=C2)[C@@H](F)C3)C)C[C@H]5OC(O[C@@]45C(=O)CO)(C)C)C.[C@]69(C([C@H]8[C@H]([C@@H](O)C6)C7(C(=CC(=O)C=C7)[C@@H](F)C8)C)C[C@H]%10OC(O[C@@]9%10C(=O)CO)(C)C)C.O
• InChI: 1S/2C24H31FO6.H2O/c2*1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26;/h2*5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3;1H2/t2*13-,14?,16-,17-,19+,20+,22?,23-,24+;/m00./s1
• InChIKey: MIXMJCQRHVAJIO-RRPCVRMZSA-N

Properties

• Boiling point: 581.8°C at 760 mmHg (Cal.)
• Flash point: 305.7°C (Cal.)