Prednisolone steaglate

Base Information

• Chemical Name: Prednisolone steaglate
• CAS No.: 5060-55-9
• Molecular Formula: C₄₁H₆₄O₈
• Molecular Weight: 684.954
• European Community (EC) Number: 225-763-9
• UNII: OZQ2XN817F
• DSSTox Substance ID: DTXSID3023504
• Nikkaji Number: J203.273B
• Wikidata: Q27285934
• NCI Thesaurus Code: C80823
• ChEMBL ID: CHEMBL2105774
• Mol file: 5060-55-9.mol

Synonyms:prednisolone 21-stearoylglycolate;prednisolonstearoyl glycolate;pregna-1,4-diene-3,20-dione-11 beta,17 alpha,21-triol-21-stearoylglycolate;Sintisone

Chemical Property of Prednisolone steaglate

Chemical Property:

• Vapor Pressure: 2.68E-27mmHg at 25°C
• Melting Point: 105-107°
• Boiling Point: 768.9°Cat760mmHg
• PKA: 12.29±0.70(Predicted)
• Flash Point: 223.5°C
• Density: 1.13g/cm³
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 23
• Exact Mass: 684.46011900
• Heavy Atom Count: 49
• Complexity: 1210

Purity/Quality:

99% ^*data from raw suppliers

PREDNISOLONE STEAGLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
• Recent EU Clinical Trials: IMPACT OF THE ADMINISTRATION OF SYSTEMIC GLUCOCORTICOIDS ON INFLAMMATORY RESPONSE AND CLINICAL EVOLUTION OF PATIENTS DIAGNOSED WITH MODERATE-SEVERE BRONCHIOLITIS

Technology Process of Prednisolone steaglate

There total 3 articles about Prednisolone steaglate 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:

octadecanoic acid carboxymethyl ester (5767-84-0) → Prednisolon-21-stearoylglycolat (5060-55-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: dioxane

With thionyl chloride; In 1,4-dioxane;

Reference yield:

Stearoyl chloride (112-76-5) → Prednisolon-21-stearoylglycolat (5060-55-9)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂

2: SOCl₂

3: dioxane

With thionyl chloride; In 1,4-dioxane; dichloromethane;

Reference yield:

prednisolon (50-24-8,8056-11-9) + stearoyloxy-acetyl chloride (7454-39-9) → Prednisolon-21-stearoylglycolat (5060-55-9)

Guidance literature:

In 1,4-dioxane;

upstream raw materials:

prednisolon

stearoyloxy-acetyl chloride

octadecanoic acid carboxymethyl ester

Stearoyl chloride

Refernces