betamethasone Acetate Phosphate
[CAS# 52081-45-5]

Identification

• Name: betamethasone Acetate Phosphate
• Synonyms: 1-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]Butane-1,3-Dione; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate; Sodium; 1-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]Butane-1,3-Dione; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Dihydrogen Phosphate; Sodium
• Molecular Formula: C₄₆H₆₁F₂Na₂O₁₃P
• Molecular Weight: 936.93
• CAS Registry Number: 52081-45-5
• SMILES: [Na].[Na].F[C@@]23[C@H]([C@H]1[C@@]([C@](O)([C@H](C1)C)C(=O)CC(=O)C)(C[C@@H]2O)C)CCC4=CC(=O)C=C[C@]34C.[C@H]78[C@H]6[C@@](F)([C@@]5(C(=CC(=O)C=C5)CC6)C)[C@@H](O)C[C@@]7([C@](O)([C@H](C8)C)C(=O)CO[P](=O)(O)O)C
• InChI: 1S/C24H31FO5.C22H30FO8P.2Na/c1-13-9-18-17-6-5-15-11-16(27)7-8-21(15,3)23(17,25)20(29)12-22(18,4)24(13,30)19(28)10-14(2)26;1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h7-8,11,13,17-18,20,29-30H,5-6,9-10,12H2,1-4H3;6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/t13-,17-,18-,20-,21-,22-,23-,24-;12-,15-,16-,17-,19-,20-,21-,22-;;/m00../s1
• InChIKey: ODKKTPCOJPNIGK-UIHQBSCNSA-N