Clocortolone acetate

Base Information

• Chemical Name: Clocortolone acetate
• CAS No.: 4258-85-9
• Molecular Formula: C24H30ClFO5
• Molecular Weight: 452.9434
• UNII: 85061HTR8T
• Nikkaji Number: J8.696G
• Wikidata: Q27269574
• NCI Thesaurus Code: C77410
• Metabolomics Workbench ID: 155012
• ChEMBL ID: CHEMBL2106011
• Mol file: 4258-85-9.mol

Synonyms:clocortolone;clocortolone acetate

Chemical Property of Clocortolone acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 252° (dec)
• Boiling Point: 578°Cat760mmHg
• Flash Point: 303.4°C
• PSA: 80.67000
• Density: 1.29g/cm³
• LogP: 3.56890
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Dioxane (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 452.1765799
• Heavy Atom Count: 31
• Complexity: 898

Purity/Quality:

ClocortoloneAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C)C)O)Cl)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)Cl)C)F
• Uses: Glucocorticoid. Clocortolone Acetate is an intermediate in the synthesis of Clocortolone (C583800), an corticosteroid used in the treatment of skin inflammmation and other skin conditions arising for dermatoses.

Technology Process of Clocortolone acetate

There total 1 articles about Clocortolone acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ Acetic acid 2-((6S,9R,10S,11S,13S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester (4258-85-9)

Guidance literature:

entspr. Stammverb., NClS;