9alpha-Bromo prednisolone acetate

Base Information

• Chemical Name: 9alpha-Bromo prednisolone acetate
• CAS No.: 4224-31-1
• Molecular Formula: C₂₃H₂₉BrO₆
• Molecular Weight: 481.384
• UNII: LG4XX6T5EH
• Nikkaji Number: J511.318K
• Mol file: 4224-31-1.mol

Synonyms:LG4XX6T5EH;SCHEMBL9273213;9alpha-Bromo prednisolone acetate;4224-31-1;(11beta)-21-(Acetyloxy)-9-bromo-11,17-dihydroxypregna-1,4-diene-3,20-dione;Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-bromo-11,17-dihydroxy-, (11beta)-;Pregna-1,4-diene-3,20-dione, 9-bromo-11beta,17,21-trihydroxy-, 21-acetate

Chemical Property of 9alpha-Bromo prednisolone acetate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 480.11475
• Heavy Atom Count: 30
• Complexity: 879

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Br)O)C)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Br)O)C)O