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Chemical structure of Enzalutamide-d3

GC64854

Enzalutamide-d3

Also known as 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide

Enzalutamide D3 is a deuterium labeled Enzalutamide (MDV3100)· Enzalutamide is an androgen receptor (AR) antagonist with an IC50 of 36 nM in LNCaP prostate cells

ChemicalCAS1443331-82-5MW467.45FormulaC21H13D3F4N4O2S
CAS number
1443331-82-5
Molecular weight
467.45
Formula
C21H13D3F4N4O2S
InChIKey
WXCXUHSOUPDCQV-HPRDVNIFSA-N
Catalogue number
GC64854
Brand
GLPBIO
Computed properties PubChem CID 71580408 · XLogP 3.6 · TPSA 109 Ų · H-bond donors 1
XLogP
3.6
TPSA
109 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
32

SMILES [2H]C([2H])([2H])NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F

Computed descriptors from PubChem (CID 71580408), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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