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Chemical structure of (-)-GSK598809 hydrochloride

GC69463

(-)-GSK598809 hydrochloride

Also known as 5-[5-[3-[(1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole;hydrochloride

(-)-GSK598809 is an isomer of GSK598809· GSK598809 is a selective antagonist of the dopamine D3 receptor (DRD3)

ChemicalCAS863766-31-8MW517.97FormulaC22H24ClF4N5OS
CAS number
863766-31-8
Molecular weight
517.97
Formula
C22H24ClF4N5OS
Solubility
DMSO ： 125 mg/mL (241·33 mM; Need ultrasonic)
InChIKey
XHSASHVDEMJIMD-NVJCMEIXSA-N
Catalogue number
GC69463
Brand
GLPBIO
Computed properties PubChem CID 67021274 · TPSA 85.3 Ų · H-bond donors 1 · H-bond acceptors 10
TPSA
85.3 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
34

SMILES CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=C(C=C(C=C5)C(F)(F)F)F.Cl

Computed descriptors from PubChem (CID 67021274), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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