Prednisolone valerate acetate

Base Information

• Chemical Name: Prednisolone valerate acetate
• CAS No.: 72064-79-0
• Molecular Formula: C28H38O7
• Molecular Weight: 486.606
• European Community (EC) Number: 276-312-8
• UNII: 2JB27QJW3D
• DSSTox Substance ID: DTXSID3023506
• Nikkaji Number: J67.022G
• Wikidata: Q27254822
• NCI Thesaurus Code: C66462
• ChEMBL ID: CHEMBL1697848
• Mol file: 72064-79-0.mol

Synonyms:acepreval;prednisolone 17-valerate-21-acetate

Chemical Property of Prednisolone valerate acetate

Chemical Property:

• Vapor Pressure: 1.78E-17mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 610.9 °C at 760 mmHg
• PKA: 14.05±0.70(Predicted)
• Flash Point: 196.3 °C
• PSA: 106.97000
• Density: 1.22 g/cm³
• LogP: 3.86950
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 486.26175355
• Heavy Atom Count: 35
• Complexity: 980

Purity/Quality:

99% ^*data from raw suppliers

Prednisolone21-Acetate17-Valerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C
• Isomeric SMILES: CCCCC(=O)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)C(=O)COC(=O)C
• Recent ClinicalTrials: Effects of Mitigation Treatments on Bruising of CCH-aaes Treatment of Buttock Cellulite
• Uses: Prednisolone 21-Acetate 17-Valerate is a derivative of Prednisolone (P703740), which is a synthetic corticosteroid, metabolically interconvertible with prednisone, and an impurity of Hydrocortisone (H714615). Prednisolone 21-Acetate 17-Valerate is used in multifunctional nanoemulsion platform for imaging guided therapy evaluated in experimental cancer.

Technology Process of Prednisolone valerate acetate

There total 1 articles about Prednisolone valerate acetate 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:

→ 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-valerate (72064-79-0)

Guidance literature:

Prednisolon-valerianat-(17α), Ac2O/Py.;