3-alpha-Hydroxy-16-alpha-methyl-2-beta-morpholino-5-alpha-pregnane-11,20-dione

Base Information

• Chemical Name: 3-alpha-Hydroxy-16-alpha-methyl-2-beta-morpholino-5-alpha-pregnane-11,20-dione
• CAS No.: 52-91-5
• Molecular Formula: C26H41NO4
• Molecular Weight: 431.608
• DSSTox Substance ID: DTXSID90966328
• Wikidata: Q76010167

Synonyms:52-91-5;3-alpha-Hydroxy-16-alpha-methyl-2-beta-morpholino-5-alpha-pregnane-11,20-dione;5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-16-alpha-methyl-2-beta-morpholino-;DTXSID90966328;3-Hydroxy-16-methyl-2-(morpholin-4-yl)pregnane-11,20-dione

Chemical Property of 3-alpha-Hydroxy-16-alpha-methyl-2-beta-morpholino-5-alpha-pregnane-11,20-dione

Chemical Property:

• Vapor Pressure: 1.01E-14mmHg at 25°C
• Boiling Point: 556.9°Cat760mmHg
• Flash Point: 290.6°C
• Density: 1.132g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 431.30355879
• Heavy Atom Count: 31
• Complexity: 748

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC4CC(C(CC4(C3C(=O)CC2(C1C(=O)C)C)C)N5CCOCC5)O
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@@]4([C@H]3C(=O)C[C@@]2([C@H]1C(=O)C)C)C)N5CCOCC5)O

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