Enzalutamide

Description: Enzalutamide/Xtandi, is a nonsteroidal antiandrogen (NSAA) medication which is used in the treatment of prostate cancer.

• Catalog: OFC915087331
• CAS: 915087-33-1
• Category: Fluorinated APIs
• Synonyms: MDV3100
• Purity: 97%

• IUPAC Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide
• InChI: InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
• InChI Key: WXCXUHSOUPDCQV-UHFFFAOYSA-N
• Isomeric SMILES: CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
• EC Number: 805-022-1

• Molecular Formula: C21H16F4N4O2S
• Molecular Weight: 464.43
• Appearance: White solid powder

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 464.09300959 g/mol
• Monoisotopic Mass: 464.09300959 g/mol
• Topological Polar Surface Area: 109Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 839