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Chemical structure of Enzalutamide-d6

GC69072

Enzalutamide-d6

Also known as 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-5,5-bis(trideuteriomethyl)imidazolidin-1-yl]-2-fluoro-N-methylbenzamide

Enzalutamide-d6 is a deuterium-labeled Enzalutamide (MDV3100)· Enzalutamide is an androgen receptor (AR) antagonist with an IC50 of 36 nM in LNCaP prostate cancer cells

ChemicalCAS1443331-94-9MW470.47FormulaC21H10D6F4N4O2S
CAS number
1443331-94-9
Molecular weight
470.47
Formula
C21H10D6F4N4O2S
InChIKey
WXCXUHSOUPDCQV-WFGJKAKNSA-N
Catalogue number
GC69072
Brand
GLPBIO
Computed properties PubChem CID 71603443 · 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])C1(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([2H])([2H])[2H]

Computed descriptors from PubChem (CID 71603443), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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