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(-) -GSK598809 hydrochloride

CAT: 1410-M36073-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M36073-01Size:2 mg
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Description
(-) -GSK598809 hydrochloride is the isomer of GSK598809. GSK598809 is a selective antagonist of the dopamine D3 receptor (DRD3), which is a neural response that selectively enhances reward anticipation in drug and alcohol dependence during monetary policy and may repair reward deficits in substance dependence.
CAS Number
863766-31-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
517.97
Molecular Formula
C22H24ClF4N5OS
Notes
Research use only, not for human use.
Receptor
Dopamine Receptor

Chemical Information

(-)-GSK598809 hydrochloride
CAS Number863766-31-8
PubChem CID67021274
IUPAC Name5-[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
Molecular FormulaC22H24ClF4N5OS
Molecular Weight518.0
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity704
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
InChI
InChI=1S/C22H23F4N5OS.ClH/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26;/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3;1H/t15-,21-;/m0./s1
InChIKey
XHSASHVDEMJIMD-NVJCMEIXSA-N
Chemical Structure
2D Structure
2D structure of (-)-GSK598809 hydrochloride
CAS: 863766-31-8
CID: 67021274
Formula: C22H24ClF4N5OS
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass517.1326219
Monoisotopic Mass517.1326219
Topological Polar Surface Area85.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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