Dexamethasone 21-Bromoacetate
[CAS# 1764-73-4]

Identification

• Name: Dexamethasone 21-Bromoacetate
• Synonyms: [2-[(8S,10S,11S,13S,14S,16R,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] 2-Bromoacetate; 2-Bromoacetic Acid [2-[(8S,10S,11S,13S,14S,16R,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-Oxoethyl] Ester; 2-Bromoacetic Acid [2-[(8S,10S,11S,13S,14S,16R,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] Ester
• Molecular Formula: C₂₄H₃₀BrFO₆
• Molecular Weight: 513.40
• CAS Registry Number: 1764-73-4
• SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)COC(=O)CBr)C
• InChI: 1S/C24H30BrFO6/c1-13-8-17-16-5-4-14-9-15(27)6-7-21(14,2)23(16,26)18(28)10-22(17,3)24(13,31)19(29)12-32-20(30)11-25/h6-7,9,13,16-18,28,31H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18+,21+,22+,23?,24+/m1/s1
• InChIKey: FXNNNORODUZNGH-OWWZPINESA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 621.127°C at 760 mmHg (Cal.)
• Flash point: 329.446°C (Cal.)