Oxabolone cipionate

Base Information

• Chemical Name: Oxabolone cipionate
• CAS No.: 1254-35-9
• Molecular Formula: C26H38 O4
• Molecular Weight: 414.58
• European Community (EC) Number: 215-011-8
• UNII: 5RXY50Q01N
• DSSTox Substance ID: DTXSID3046879
• Nikkaji Number: J7.476D
• Wikipedia: Oxabolone_cipionate
• Wikidata: Q7115043
• NCI Thesaurus Code: C81376
• Metabolomics Workbench ID: 154030
• ChEMBL ID: CHEMBL2105318
• Mol file: 1254-35-9.mol

Synonyms:4,17beta-dihydroxy-estr-4-en-3-one 17-cyclopentylpropionate;oxabolone cypionate

Chemical Property of Oxabolone cipionate

Chemical Property:

• Vapor Pressure: 6.57E-15mmHg at 25°C
• Melting Point: 158-160°
• Boiling Point: 560.7°Cat760mmHg
• Flash Point: 184.9°C
• PSA: 63.60000
• Density: 1.16g/cm³
• LogP: 5.89610
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 414.27700969
• Heavy Atom Count: 30
• Complexity: 733

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C(C(=O)CCC35)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C(C(=O)CC[C@H]35)O

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