17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate

Base Information

• Chemical Name: 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
• CAS No.: 24147-55-5
• Molecular Formula: C30H33 N3 O10
• Molecular Weight: 595.5971
• NSC Number: 105788
• DSSTox Substance ID: DTXSID20946971
• Mol file: 24147-55-5.mol

Synonyms:24147-55-5;NSC105788;17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate;DTXSID20946971;NSC-105788

Chemical Property of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate

Chemical Property:

• Vapor Pressure: 1.87E-28mmHg at 25°C
• Boiling Point: 820.1°Cat760mmHg
• Flash Point: 449.8°C
• Density: 1.48g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 595.21659426
• Heavy Atom Count: 43
• Complexity: 1290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)COC(=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N6CC6)[N+](=O)[O-])O)C