Epostane

Base Information

• Chemical Name: Epostane
• CAS No.: 80471-63-2
• Molecular Formula: C22H31 N O3
• Molecular Weight: 357.54
• UNII: 6375T36951
• Nikkaji Number: J23.284J
• Wikipedia: Epostane
• Wikidata: Q15633977
• NCI Thesaurus Code: C80687
• ChEMBL ID: CHEMBL2106218
• Mol file: 80471-63-2.mol

Synonyms:4,5-epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile (4alpha,5alpha,17beta);epostane

Chemical Property of Epostane

Chemical Property:

• Vapor Pressure: 7.12E-12mmHg at 25°C
• Melting Point: 191-194°
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 495°C at 760 mmHg
• Flash Point: 253.2°C
• PSA: 76.78000
• Density: 1.24g/cm³
• LogP: 4.24708
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly), Pyridine (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 357.23039385
• Heavy Atom Count: 26
• Complexity: 782

Purity/Quality:

99%, ^*data from raw suppliers

Epostane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C)O)CCC45C3(CC(=C(C4(O5)C)O)C#N)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@]45[C@@]3(CC(=C([C@]4(O5)C)O)C#N)C
• Uses: Epostane is a 3β-Hydroxysteroid dehydrogenase inhibitor; a derivative of trilostane. Interceptive. 3β-Hydroxysteroid dehydrogenase inhibitor; a derivative of trilostane. Interceptive.