Clocortolone Caproate
[CAS# 4891-71-8]

Identification

• Name: Clocortolone Caproate
• Synonyms: [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-Chloro-6-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexanoate; Hexanoic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-Chloro-6-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Hexanoic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-Chloro-6-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₈H₃₈ClFO₅
• Molecular Weight: 509.06
• CAS Registry Number: 4891-71-8
• EINECS: 225-513-9
• SMILES: [C@H]23[C@@](Cl)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C[C@]4([C@H]3C[C@H]([C@@H]4C(=O)COC(=O)CCCCC)C)C
• InChI: 1S/C28H38ClFO5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(30)20-12-17(31)9-10-27(20,4)28(19,29)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,23+,25-,26+,27+,28+/m1/s1
• InChIKey: MMTRTBFDFNRBQO-ANHDKODLSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 616.3°C at 760 mmHg (Cal.)
• Flash point: 326.526°C (Cal.)