21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated

Base Information

• Chemical Name: 21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated
• CAS No.: 58636-50-3
• Molecular Formula: C22H28O5
• Molecular Weight: 372.5
• UNII: 2GSF7W6RRG
• Nikkaji Number: J569.914B
• Mol file: 58636-50-3.mol

Synonyms:58636-50-3;2GSF7W6RRG;21-Dehydro-6alpha-methylprednisolone;21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated;2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde;2-((6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-yl)-2-oxoacetaldehyde;UNII-2GSF7W6RRG;SCHEMBL11692143;Methylprednisolone Acetate EP Impurity C;Methylprednisolone acetate impurity C [EP];21-DEHYDRO-6.ALPHA.-METHYL PREDNISOLONE;METHYLPREDNISOLONE ACETATE IMPURITY C [EP IMPURITY];11beta,17-Dihydroxy-6alpha-methylpregna-1,4-diene-3,20,21-trione;Pregna-1,4-dien-21-al, 11beta,17-dihydroxy-6alpha-methyl-3,20-dioxo-;11.BETA.,17-DIHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20,21-TRIONE;Pregna-1,4-dien-21-al, 11,17-dihydroxy-6-methyl-3,20-dioxo-, (6alpha,11beta)-;PREGNA-1,4-DIEN-21-AL, 11.BETA.,17-DIHYDROXY-6.ALPHA.-METHYL-3,20-DIOXO-;(6?,11?)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-al;11?,17-Dihydroxy-6?-methyl-3,20-dioxopregna-1,4-dien-21-al;6?-Methylprednisolone 21-Aldehyde;PREGNA-1,4-DIEN-21-AL, 11,17-DIHYDROXY-6-METHYL-3,20-DIOXO-, (6.ALPHA.,11.BETA.)-

Chemical Property of 21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated

Chemical Property:

• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly, Heated, Sonicated), DMSO (Slightl
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.19367399
• Heavy Atom Count: 27
• Complexity: 782

Purity/Quality:

99% ^*data from raw suppliers

21-Dehydro-6α-Methylprednisolone,PartiallyHydrated(mixtureofthealdehydeandthehydratedform) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)C=O)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)C=O)O
• Uses: 21-Dehydro-6α-methyl Prednisolone is an impurity of 6α-Methyl Prednisolone (M325934), a glucocorticoid anti-inflammatory agent.

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