Halobetasol

Base Information

• Chemical Name: Halobetasol
• CAS No.: 98651-66-2
• Molecular Formula: C22H27 Cl F2 O4
• Molecular Weight: 428.904
• UNII: 9P6159HM7T
• DSSTox Substance ID: DTXSID60243759
• Nikkaji Number: J3.370.744D
• Wikipedia: Ulobetasol
• Wikidata: Q7879715
• NCI Thesaurus Code: C61781
• RXCUI: 41208
• Metabolomics Workbench ID: 145334
• ChEMBL ID: CHEMBL1201360
• Mol file: 98651-66-2.mol

Synonyms:6 alpha-fluoroclobetasol 17-propionate;6-fluoroclobetasol 17-propionate;CGP 14 458;CGP 14458;CGP-14458;halobetasol;halobetasol propionate;ulobetasol;Ultravate

Chemical Property of Halobetasol

Chemical Property:

• PSA: 74.60000
• LogP: 3.09020
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 428.1565934
• Heavy Atom Count: 29
• Complexity: 843

Purity/Quality:

99% ^*data from raw suppliers

Halobetasol ^*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(C1(C(=O)CCl)O)C)O)F)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@]1(C(=O)CCl)O)C)O)F)C)F
• Recent ClinicalTrials: Evaluation of Adrenal Suppression Potential and Pharmacokinetics of Halobetasol Lotion 0.05%
• Recent EU Clinical Trials: An open label evaluation of the adrenal suppression potential and pharmacokinetic properties of twice daily halobetasol propionate foam, 0.05% in subjects 12 to less than 18 years of age with plaque psoriasis receiving two weeks of treatment
• Uses: Halobetasol is a corticosteroid, an anti-inflammatory drug that is used to treat various dermatological conditions which mainly consist of various forms of psoriasis.

Technology Process of Halobetasol

There total 1 articles about Halobetasol 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:

6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 17-propionate 21-mesylate (84509-92-2) → halobetasol propionate (66852-54-8) + halobetasol (98651-66-2) + 6α,9α-difluoro-11β-hydroxy-16β-methyl-3-oxoandrosta-1,4-diene-17(R)-spiro-2'-[4'-chloro-5'-ethylfuran-3-(2'H)-one] + 6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 21-propionate (541502-98-1) + 6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 17-propionate (924726-89-6) + 11β,17α,21-trihydroxy-6α,9α-difluoro-16β-methylpregna-1,4-diene-3,20-dione (2557-49-5)

Guidance literature:

6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 17-propionate 21-mesylate; With lithium chloride; In ISOPROPYLAMIDE; at 80 ℃; for 3h;

With water; In ISOPROPYLAMIDE; at 20 ℃; for 1.83333h;

upstream raw materials:

6α,9α-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione, 17-propionate 21-mesylate

Refernces