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MDV 3100-[d3]

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General Information
Catalog: BLP-012429
CAS: 1443331-82-5
Molecular Formula: C21H13D3F4N4O2S
Molecular Weight: 467.45

Chemical Structure

Description	MDV 3100-[d3] is the labelled analogue of Enzalutamide. Enzalutamide is an androgen-receptor (AR) antagonist in LNCaP cells.
Synonyms	MDV 3100 D3; 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-(methyl-d3)benzamide; Enzalutamide-d3
IUPAC Name	4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
Related CAS	915087-33-1 (unlabelled)
Canonical 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
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)/i3D3
InChI Key	WXCXUHSOUPDCQV-HPRDVNIFSA-N
Melting Point	196-199°C
Purity	95% by HPLC; 95% atom D
Density	1.5±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Off-white Solid
Storage	Store at -20°C