6alpha,9-Difluoro-11beta-hydroxy-16alpha,17-(1-methylethylidenedioxy)-3-oxoandrosta-1,4-diene-17beta-carboxylic acid

Base Information

• Chemical Name: 6alpha,9-Difluoro-11beta-hydroxy-16alpha,17-(1-methylethylidenedioxy)-3-oxoandrosta-1,4-diene-17beta-carboxylic acid
• CAS No.: 65751-34-0
• Molecular Formula: C₂₃H₂₈F₂O₆
• Molecular Weight: 438.469
• UNII: B89MRW2X77
• DSSTox Substance ID: DTXSID40215959
• Wikidata: Q27274498

Synonyms:65751-34-0;UNII-B89MRW2X77;Fluocinolone acetonide impurity B [EP];B89MRW2X77;6alpha,9-Difluoro-11beta-hydroxy-16alpha,17-(1-methylethylidenedioxy)-3-oxoandrosta-1,4-diene-17beta-carboxylic acid;Fluocinolone acetonide 17beta-carboxylic acid;(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid;Androsta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-3-oxo-, (6alpha,11beta,16alpha,17alpha)-;(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3-oxoandrosta-1,4-dien;Fluocinolone Acetonide EP Impurity B;SCHEMBL7899994;DTXSID40215959;FLUOCINOLONE ACETONIDE IMPURITY B [EP IMPURITY];Q27274498;FLUOCINOLONE ACETONIDE 17.BETA.-CARBOXYLIC ACID;(6a,11b,16a,17a)-6,9-Difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3-oxoandrosta-1,4-diene-17-carboxylic Acid;ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 6,9-DIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-3-OXO-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-

Chemical Property of 6alpha,9-Difluoro-11beta-hydroxy-16alpha,17-(1-methylethylidenedioxy)-3-oxoandrosta-1,4-diene-17beta-carboxylic acid

Chemical Property:

• Boiling Point: 576.0±50.0 °C(Predicted)
• PKA: 2.80±0.70(Predicted)
• Density: 1.39±0.1 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 438.18539493
• Heavy Atom Count: 31
• Complexity: 944

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)O)C)O)F)C)F)C
• Isomeric SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)O)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
• Uses: (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3-oxoandrosta-1,4-diene-17-carboxylic Acid, is is a derivative of Fluocinolone Acetonide (F455800), which is a Corticosteroid, used in dermatology to reduce skin inflammation and relieve itching.

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