11,17,21-Trihydroxypregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
• CAS No.: 52438-85-4
• Molecular Formula: C21H28O5
• Molecular Weight: 360.44
• European Community (EC) Number: 682-321-1
• ChEMBL ID: CHEMBL1735158
• Mol file: 52438-85-4.mol

Synonyms:11,17,21-Trihydroxypregna-1,4-diene-3,20-dione;307518-72-5;MLS002638110;1-Dehydrocortisol;52438-85-4;SCHEMBL4449434;CHEMBL1735158;CHEBI:181020;HMS2232P15;HMS3371N11;BBL005698;MFCD00267363;STK177313;AKOS001650095;AKOS017258740;FS-4850;11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;SMR001317863;FT-0699351;UNM000000588601;EN300-295956;1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Chemical Property of 11,17,21-Trihydroxypregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 7.36E-16mmHg at 25°C
• Melting Point: 240 °C (dec.)(lit.)
• Refractive Index: 1.611
• Boiling Point: 570.6 °C at 760 mmHg
• Flash Point: 313 °C
• PSA: 217.35000
• Density: 1.31 g/cm³
• LogP: 2.92230
• Storage Temp.: 0-6°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 360.19367399
• Heavy Atom Count: 26
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
• Recent EU Clinical Trials: A PHASE II, DOUBLE-BLIND, CONTROLLED, MULTI-CENTER, RANDOMIZED, LONG TERM SAFETY TRIAL OF Z102 AND PREDNISONE (5 MG OR 7.5 MG) IN PATIENTS WITH MODERATE TO SEVERE RHEUMATOID ARTHRITIS