17-((Dichloroacetyl)oxy)-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid, (11beta,17alpha)-

Base Information

• Chemical Name: 17-((Dichloroacetyl)oxy)-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid, (11beta,17alpha)-
• CAS No.: 199331-37-8
• Molecular Formula: C₂₂H₂₆Cl₂O₆
• Molecular Weight: 457.351
• UNII: 1D07Y3I3W3
• Wikidata: Q27252254

Synonyms:UNII-1D07Y3I3W3;1D07Y3I3W3;199331-37-8;17-((Dichloroacetyl)oxy)-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid, (11beta,17alpha)-;Etiprednol dicloacetate 17betacarboxylic acid metabolite;Androsta-1,4-diene-17-carboxylic acid, 17-((dichloroacetyl)oxy)-11-hydroxy-3-oxo-, (11beta,17alpha)-;SCHEMBL7609790;Q27252254;ETIPREDNOL DICLOACETATE 17.BETA.CARBOXYLIC ACID METABOLITE;(11beta,17alpha)-17-((dichloroacetyl)oxy)-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid;17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, (11.BETA.,17.ALPHA.)-;ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-

Chemical Property of 17-((Dichloroacetyl)oxy)-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid, (11beta,17alpha)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 456.1106439
• Heavy Atom Count: 30
• Complexity: 866

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2(C(=O)O)OC(=O)C(Cl)Cl)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)O)OC(=O)C(Cl)Cl)CCC4=CC(=O)C=C[C@]34C)O

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