Deacylcortivazol

Base Information

• Chemical Name: Deacylcortivazol
• CAS No.: 4906-84-7
• Molecular Formula: C30H36N2O4
• Molecular Weight: 488.6178
• UNII: 3JO09QT49F
• Nikkaji Number: J386.869I
• Wikidata: Q27257325
• Mol file: 4906-84-7.mol

Synonyms:11 beta,17,21-trihydroxy-6,16 alpha-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one;bimedrazole;deacylcortivazol

Chemical Property of Deacylcortivazol

Chemical Property:

• Vapor Pressure: 3.28E-19mmHg at 25°C
• Boiling Point: 676.2°Cat760mmHg
• PKA: 12.48±0.70(Predicted)
• Flash Point: 362.8°C
• PSA: 95.58000
• Density: 1.35g/cm³
• LogP: 3.72980
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 488.26750763
• Heavy Atom Count: 36
• Complexity: 987

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)C=NN5C6=CC=CC=C6)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C=NN5C6=CC=CC=C6)C

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