(17alpha)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile

Base Information

• Chemical Name: (17alpha)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile
• CAS No.: 65928-65-6
• Molecular Formula: C₂₀H₂₇NO₂
• Molecular Weight: 313.44
• European Community (EC) Number: 613-855-5
• DSSTox Substance ID: DTXSID601036387
• Nikkaji Number: J552.987E
• Mol file: 65928-65-6.mol

Synonyms:65928-65-6;(17alpha)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile;SCHEMBL3402721;DTXSID601036387

Chemical Property of (17alpha)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 313.204179104
• Heavy Atom Count: 23
• Complexity: 627

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(CC#N)O)CCC4=C3CCC(=O)C4
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=C3CCC(=O)C4