Desoximetasone

Base Information

• Chemical Name: Desoximetasone
• CAS No.: 382-67-2
• Molecular Formula: C22H29FO4
• Molecular Weight: 376.468
• Hs Code.: 29147000
• European Community (EC) Number: 206-845-3
• UNII: 4E07GXB7AU
• DSSTox Substance ID: DTXSID3045647
• Nikkaji Number: J83.644C
• Wikipedia: Desoximetasone
• Wikidata: Q385370
• NCI Thesaurus Code: C47477
• RXCUI: 3255
• Pharos Ligand ID: VG2C8XL1YASY
• Metabolomics Workbench ID: 42884
• ChEMBL ID: CHEMBL1766
• Mol file: 382-67-2.mol

Synonyms:17 Desoxymethasone;17-Desoxymethasone;A 41304;A-41304;A41304;Deoxydexamethasone;Desoxi;Desoximetasone;Desoxymethasone;Flubason;Ibaril;Stiedex;Topicort;Topicorte;Topisolon

Chemical Property of Desoximetasone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 217oC
• Refractive Index: 1.574
• Boiling Point: 532.3 °C at 760 mmHg
• PKA: 12.98±0.10(Predicted)
• Flash Point: 275.7 °C
• PSA: 74.60000
• Density: 1.25 g/cm³
• LogP: 2.78080
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.20498756
• Heavy Atom Count: 27
• Complexity: 757

Purity/Quality:

98%, ^*data from raw suppliers

Desoxymetasone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-40-43
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C
• Recent ClinicalTrials: Evaluating Treatment Resistant Dermatitis TaroIIR
• Uses: Glucocorticoid anti-inflammatory. It is also found as an impurity in Dexamethasone (D298800).
• Therapeutic Function: Antiinflammatory

Technology Process of Desoximetasone

There total 4 articles about Desoximetasone 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: 83.0%

dexamethasone (50-02-2) → desoximetasone (382-67-2)

Guidance literature:

dexamethasone; With trimethylsilyl iodide; In dichloromethane; acetonitrile; at -8 ℃; for 1h;

With hydrogenchloride; In dichloromethane; water; for 2h; Product distribution / selectivity;

Reference yield:

→ desoximetasone (382-67-2)

Guidance literature:

Reference yield:

→ 11β,21-Dihydroxy-9α-fluoro-16β-methyl-1,4-pregnadiene-3,20-dione (382-67-2,53798-55-3)

Guidance literature:

Betamethasone, H2SO4, in A.;

DOI:10.1248/yakushi1947.96.6_810

upstream raw materials:

dexamethasone

Downstream raw materials:

(8S,9R,10S,11S,13S,14S,16R,17S)-9-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]phenanthrene-17-carboxylic acid

21-chloro-9α-fluoro-11β-hydroxy-16α-methyl-17α-propanoyloxy-1,4-pregnadiene-3,20-dione

Refernces

• 1、 -. "Process for the synthesis of the hydroxyacetyl side-chain of steroids of the pregnane type, novel 21-hydroxy-20-oxo-17α-pregnane compounds and pharmaceutical preparations containing them". . . Retrieved 2008/06/13.
• 2、 Shibata,Isaka,Mochida. "Coloration in the Porter Silber reaction of betamethasone and dexamethasone (Japanese)". . p. 810 - 812. Retrieved 2007/10/10.