Clobetasone butyrate

Base Information

• Chemical Name: Clobetasone butyrate
• CAS No.: 25122-57-0
• Molecular Formula: C₂₆H₃₂ClFO₅
• Molecular Weight: 478.988
• Hs Code.: 29372290
• European Community (EC) Number: 246-635-9
• UNII: 8U0H6XI6EO
• DSSTox Substance ID: DTXSID3046823
• Nikkaji Number: J23.588A
• Wikipedia: Clobetasone_butyrate
• Wikidata: Q27271005
• NCI Thesaurus Code: C77409
• Pharos Ligand ID: WFMD5KSWZBBW
• ChEMBL ID: CHEMBL577673
• Mol file: 25122-57-0.mol

Synonyms:Pregna-1,4-diene-3,11,20-trione,21-chloro-9-fluoro-17-hydroxy-16b-methyl-, butyrate (8CI);Butyric acid, ester with21-chloro-9-fluoro-17-hydroxy-16b-methylpregna-1,4-diene-3,11,20-trione (8CI);CCl 5537;Clobetasone17-butyrate;Emovate;Eumovate;GR 2/1214;Kindavate;Molivate;SN 203;

Chemical Property of Clobetasone butyrate

Chemical Property:

• Vapor Pressure: 3.78E-13mmHg at 25°C
• Melting Point: 90-100°
• Refractive Index: 1.551
• Boiling Point: 573.3 °C at 760 mmHg
• Flash Point: 181.1 °C
• PSA: 77.51000
• Density: 1.26 g/cm³
• LogP: 4.70140
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Practically insoluble in water, freely soluble in acetone and in methylene chloride, slightly soluble in ethanol (96 per cent).
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 478.1922300
• Heavy Atom Count: 33
• Complexity: 987

Purity/Quality:

99% ^*data from raw suppliers

Clobetasone17-Butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl
• Isomeric SMILES: CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl
• Recent ClinicalTrials: Randomised, Double-blind, Placebo-controlled Study of Topical Clobetasone Butyrate 0.05% Cream in Subjects With Eczema for Two Weeks to Evaluate the Efficacy and Safety
• Recent EU Clinical Trials: Assessment of the activity of a new cream containing betamethasone dipropionate at 0.010%, 0.025% and 0.050% versus reference products using a vasoconstriction assay in healthy subjects.
• Uses: Glucocorticoid; anti-inflammmatory.

Technology Process of Clobetasone butyrate

There total 3 articles about Clobetasone butyrate 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:

butanoic acid anhydride (106-31-0) + clobetasone (54063-32-0) → Clobetasone butyrate (25122-57-0)

Guidance literature:

With methanesulfonic acid; trifluoroacetic acid; In nitromethane;

Reference yield:

CH4O*C26H32ClFO5 → Clobetasone butyrate (25122-57-0)

Guidance literature:

Heating;

DOI:10.1135/cccc2011027

Reference yield:

→ 9α-fluoro-21-chloro-16β-methyl-1,4-pregnadiene-17α-ol-3,11,20-trione 17-(n-butyrate) (25122-57-0)

Guidance literature:

upstream raw materials:

butanoic acid anhydride

clobetasone

Refernces

• 1、 -. "Novel process for the preparation of steroidal esters". . . Retrieved 2008/06/13.