Halometasone

Base Information

• Chemical Name: Halometasone
• CAS No.: 50629-82-8
• Molecular Formula: C22H27ClF2O5
• Molecular Weight: 444.903
• European Community (EC) Number: 256-664-9
• UNII: J69Z9UU41Z
• DSSTox Substance ID: DTXSID1048382
• Nikkaji Number: J14.680C
• Wikipedia: Halometasone
• Wikidata: Q10910139
• NCI Thesaurus Code: C170038
• Metabolomics Workbench ID: 154513
• ChEMBL ID: CHEMBL1587228
• Mol file: 50629-82-8.mol

Synonyms:2-chloro-6alpha, 9-difluoro-11beta, 17,21-trihydroxy-16alpha-methylpregna-1,4-dien-3,20-dione;C 48,401-Ba;C-48,401-Ba;halometasone;halometasone monohydrate;Sicorten

Chemical Property of Halometasone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 125-130°C(lit.)
• Refractive Index: 1.586
• Boiling Point: 600.538 °C at 760 mmHg
• PKA: 11.93±0.70(Predicted)
• Flash Point: 316.994 °C
• PSA: 94.83000
• Density: 1.422 g/cm³
• LogP: 2.41020
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Sparingly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 444.1515080
• Heavy Atom Count: 30
• Complexity: 889

Purity/Quality:

99%, ^*data from raw suppliers

Halometasone ^*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)CO)O)C)O)F)C)Cl)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)CO)O)C)O)F)C)Cl)F
• Recent ClinicalTrials: A Clinical Observation on the Efficacy and Safety of Pulsed Dye Laser (PDL) in the Treatment of Nail Psoriasis
• Description: Halometasone is a Dotent, topical steroid useful in a variety of acute and chronic eczematous dermaioses and psoriasis. It is reportedly devoid of skin toxicity and systemic effects.
• Uses: A corticosteroid used in the treatment of skin disorders such as chronic eczema.

Technology Process of Halometasone

There total 3 articles about Halometasone 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: 90.1%

→ 2-chloro-6α,9α-difluoro-11β,17α,21-trihydroxy-16α-methyl-pregna-1,4-diene-3,20-dione (50629-82-8)

Guidance literature:

With 1-ethyl-3-methylimidazole hydrogen fluoride; at 25 ℃;

Reference yield:

→ (9R,17R)-2-Chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (50629-82-8,59047-18-6,59047-19-7)

Guidance literature:

Diacetat 8c;

Reference yield:

→ (9R,16R,17R)-2-Chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (50629-82-8,59047-18-6,59047-19-7)

Guidance literature:

Diacetat 8b;

Refernces

• 1、 -. "Method for reducing or preventing transplant rejection in the eye and intraocular implants for use therefor". . . Retrieved 2008/06/13.