6alpha-Bromo-beclomethasone dipropionate

Base Information

• Chemical Name: 6alpha-Bromo-beclomethasone dipropionate
• CAS No.: 887130-69-0
• Molecular Formula: C28H36BrClO7
• Molecular Weight: 599.9
• European Community (EC) Number: 817-972-4
• UNII: BL5X7EQH6W
• DSSTox Substance ID: DTXSID50747216
• Wikidata: Q27274740
• Mol file: 887130-69-0.mol

Synonyms:887130-69-0;6alpha-Bromo-beclomethasone dipropionate;UNII-BL5X7EQH6W;BL5X7EQH6W;Beclomethasone dipropionate impurity F;6alpha-Bromo Beclomethasone Dipropionate;[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6-bromo-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;6alpha-Bromo-9-chloro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate;Pregna-1,4-diene-3,20-dione, 6-bromo-9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (6alpha,11beta,16beta)-;6|A-Bromo Beclomethasone Dipropionate;DTXSID50747216;6.ALPHA.-BROMO-BECLOMETHASONE DIPROPIONATE;Q27274740;6alpha-Bromo-beclomethasone dipropionate, UNII-BL5X7EQH6W;BECLOMETHASONE DIPROPIONATE IMPURITY F [EP IMPURITY];(6alpha,11beta,16beta)-6-Bromo-9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate;6.ALPHA.-BROMO-9-CHLORO-11.BETA.-HYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-17,21-DIYL DIPROPANOATE;PREGNA-1,4-DIENE-3,20-DIONE, 6-BROMO-9-CHLORO-11-HYDROXY-16-METHYL-17,21-BIS(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.BETA.)-

Chemical Property of 6alpha-Bromo-beclomethasone dipropionate

Chemical Property:

• PKA: 12.74±0.70(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 598.13329
• Heavy Atom Count: 37
• Complexity: 1090

Purity/Quality:

95% ^*data from raw suppliers

6α-BromoBeclomethasoneDipropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)Br)Cl)O)C)C)OC(=O)CC
• Isomeric SMILES: CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)Br)Cl)O)C)C)OC(=O)CC