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Chemical structure of Fanapanel hydrate

GC36027

Fanapanel hydrate

Also known as [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid;hydrate

Fanapanel hydrate (ZK200775 hydrate) is a highly selective AMPA/kainate antagonist with little activity against NMDA; have Ki values of 3·2 nM, 100 nM, and 8·5 μM against quisqualate, kainate, and NMDA, respectively

ChemicalCAS1255517-78-2MW427.27FormulaC14H17F3N3O7P
CAS number
1255517-78-2
Molecular weight
427.27
Formula
C14H17F3N3O7P
Solubility
DMSO: 5 mg/mL (11·70 mM)
InChIKey
RYQLMFHPDNKPKY-UHFFFAOYSA-N
Catalogue number
GC36027
Brand
GLPBIO
Computed properties PubChem CID 71312017 · TPSA 120 Ų · H-bond donors 4 · H-bond acceptors 11
TPSA
120 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
28

SMILES C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O.O

Computed descriptors from PubChem (CID 71312017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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