Prednisolone farnesylate

Base Information

• Chemical Name: Prednisolone farnesylate
• CAS No.: 118244-44-3
• Molecular Formula: C36H50 O6
• Molecular Weight: 578.78
• UNII: 359F2816ER
• ChEMBL ID: CHEMBL3188458
• DSSTox Substance ID: DTXSID0057625
• Nikkaji Number: J510.522F,J519.713I
• Mol file: 118244-44-3.mol

Synonyms:11 beta,17 alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoate;prednisolone farnesylate

Chemical Property of Prednisolone farnesylate

Chemical Property:

• Vapor Pressure: 1.88E-23mmHg at 25°C
• Boiling Point: 712.5°Cat760mmHg
• PKA: 12.31±0.70(Predicted)
• Flash Point: 217.5°C
• PSA: 100.90000
• Density: 1.15g/cm³
• LogP: 6.52770
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 578.36073931
• Heavy Atom Count: 42
• Complexity: 1250

Purity/Quality:

98% ^*data from raw suppliers

PREDNISOLONE FARNESYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)/C)/C)C

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