Topilutamide

Base Information

• Chemical Name: Topilutamide
• CAS No.: 260980-89-0
• Molecular Formula: C13H11 F6 N3 O5
• Molecular Weight: 403.23
• European Community (EC) Number: 444-070-4,813-250-8
• UNII: A8EU2FXY13
• DSSTox Substance ID: DTXSID30870298
• Nikkaji Number: J3.143.030E
• Wikipedia: Topilutamide
• NCI Thesaurus Code: C66612
• ChEMBL ID: CHEMBL2107790
• Mol file: 260980-89-0.mol

Synonyms:2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-3-(2,2,2-trifluoroacetylamino)propanamide;fluridil

Chemical Property of Topilutamide

Chemical Property:

• Melting Point: 144-145 °C
• Boiling Point: 284-289 °C
• PKA: 10.66±0.46(Predicted)
• PSA: 131.23000
• Density: 1.588±0.06 g/cm3(Predicted)
• LogP: 3.99460
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 403.06028943
• Heavy Atom Count: 27
• Complexity: 591

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNC(=O)C(F)(F)F)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O