Betamethasone 17-Benzoate
[CAS# 22298-29-9]

Identification

• Classification: Analytical chemistry >> Standard >> Pharmacopoeia standards and magazine standards
• Name: Betamethasone 17-Benzoate
• Synonyms: Benzoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Benzoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-Glycoloyl-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)-9-Fluoro-11-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Benzoate
• Molecular Formula: C₂₉H₃₃FO₆
• Molecular Weight: 496.57
• CAS Registry Number: 22298-29-9
• EINECS: 244-897-9
• 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)(OC(C5=CC=CC=C5)=O)C(CO)=O
• InChI: 1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
• InChIKey: SOQJPQZCPBDOMF-YCUXZELOSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 640.987°C at 760 mmHg (Cal.)
• Flash point: 341.457°C (Cal.)