Prednisolone tebutate

Base Information

• Chemical Name: Prednisolone tebutate
• CAS No.: 7681-14-3
• Deprecated CAS: 7114-05-8
• Molecular Formula: C27H38O6
• Molecular Weight: 458.59
• Hs Code.: 2937290000
• European Community (EC) Number: 231-661-5
• UNII: 1V7A1U282K
• DSSTox Substance ID: DTXSID8023505
• Nikkaji Number: J8.959A
• Wikipedia: Prednisolone_tebutate
• Wikidata: Q27108064
• NCI Thesaurus Code: C66461
• Pharos Ligand ID: R49QWSCPR1G4
• Metabolomics Workbench ID: 68018
• ChEMBL ID: CHEMBL1200909
• Mol file: 7681-14-3.mol

Synonyms:11 beta,17 alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-tert-butyl acetate;codelcortone-TBA;prednisolone butylacetate;prednisolone tebutate;prednisolone tertiary butyl acetate

Chemical Property of Prednisolone tebutate

Chemical Property:

• Melting Point: 266-273°
• Boiling Point: 606.7 °C at 760 mmHg
• PKA: 12.32±0.70(Predicted)
• Flash Point: 197.7 °C
• PSA: 100.90000
• Density: 1.21 g/cm³
• LogP: 3.54470
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Dioxane (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 458.26683893
• Heavy Atom Count: 33
• Complexity: 925

Purity/Quality:

98% ^*data from raw suppliers

Prednisolone Tebutate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O
• Isomeric SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O
• Uses: Prednisolone Tebutate is an anaesthetic corticosteroid.