Apalutamide

Description: Apalutamide, trade name Erleada, is a nonsteroidal antiandrogen (NSAA) medication which is used in the treatment of prostate cancer.

• Catalog: OFC956104408
• CAS: 956104-40-8
• Category: Fluorinated APIs
• Synonyms: Erleada
• Purity: 98%

• IUPAC Name: 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
• InChI: InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
• InChI Key: HJBWBFZLDZWPHF-UHFFFAOYSA-N
• Isomeric SMILES: CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F
• EC Number: 807-449-9

• Molecular Formula: C21H15F4N5O2S
• Molecular Weight: 477.43
• Appearance: White to off-white-solid powder

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 477.08825856 g/mol
• Monoisotopic Mass: 477.08825856 g/mol
• Topological Polar Surface Area: 121Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 886