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Chemical structure of N-Desmethylapalutamide

GC61117

N-Desmethylapalutamide

Also listed as N-Desmethyl-Apalutamide

N-Desmethyl Apalutamide is an active metabolite of Apalutamide· N-Desmethyl Apalutamide is a less potent antagonist of the androgen receptor and is responsible for one-third of the activity of Apalutamide· The formation of N-Desmethyl Apalutamide mediated predominantly by CYP2C8 and CYP3A4· N-Desmethyl Apalutamide is moderate to strong CYP3A4 and CYP2B6 inducer and has an excellent plasma-proteins bound concentration

ChemicalCAS1332391-11-3MW463.41FormulaC20H13F4N5O2S
CAS number
1332391-11-3
Molecular weight
463.41
Formula
C20H13F4N5O2S
InChIKey
BAANHOAPFBHUDX-UHFFFAOYSA-N
Catalogue number
GC61117
Brand
GLPBIO
Computed properties PubChem CID 86683490 · XLogP 2.6 · TPSA 135 Ų · H-bond donors 1
XLogP
2.6
TPSA
135 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
32

SMILES C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)N)F)C4=CC(=C(N=C4)C#N)C(F)(F)F

Computed descriptors from PubChem (CID 86683490), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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