Dexamethasone 21-pentanoate
[CAS# 2600-31-9]

Identification

• Name: Dexamethasone 21-pentanoate
• Synonyms: (8S,9R,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]Phenanthrene-17-Carboxylic Acid 2-Oxohexyl Ester; (8S,9R,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]Phenanthrene-17-Carboxylic Acid 2-Ketohexyl Ester; 9-Fluoro-11Beta,17,21-Trihydroxy-16Alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Valerate
• Molecular Formula: C₂₇H₃₇FO₆
• Molecular Weight: 476.58
• CAS Registry Number: 2600-31-9
• EINECS: 220-003-2
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(OCC(=O)CCCC)=O)C
• InChI: 1S/C27H37FO6/c1-5-6-7-19(30)15-34-23(32)27(33)16(2)12-21-20-9-8-17-13-18(29)10-11-24(17,3)26(20,28)22(31)14-25(21,27)4/h10-11,13,16,20-22,31,33H,5-9,12,14-15H2,1-4H3/t16-,20+,21+,22+,24+,25+,26+,27+/m1/s1
• InChIKey: KHBMIILFRGOUOQ-RJXHKNTRSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 596.162°C at 760 mmHg (Cal.)
• Flash point: 314.348°C (Cal.)