Betamethasone Acibutate
[CAS# 5534-05-4]

Identification

• Name: Betamethasone Acibutate
• Synonyms: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxy-1-Oxoethyl)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 2-Methylpropionic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₈H₃₇FO₇
• Molecular Weight: 504.59
• CAS Registry Number: 5534-05-4
• EINECS: 226-885-5
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(C)=O)=O)OC(C(C)C)=O
• InChI: 1S/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1
• InChIKey: KGNVBESWWSSQAN-QEVRMTOFSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 598.933°C at 760 mmHg (Cal.)
• Flash point: 316.023°C (Cal.)