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ADX 10059 hydrochloride

CAT: 0607-B5586-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5586-50Size:50 mg
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Description
Negative allosteric modulator at mGlu5
CAS Number
757949-98-7
Product Name Alternative
2-((3-fluorophenyl)ethynyl)-4,6-dimethylpyridin-3-amine hydrochloride
Field of Research
Neuroscience GluR
Purity
0.98
Form
Yellow solid
Solubility
<6.92mg/ml in H2O; <27.67mg/ml in DMSO
Smiles
CC1=CC(C)=NC(C#CC2=CC(F)=CC=C2)=C1N.Cl
Molecular Formula
C15H13FN2·HCl
Molecular Weight
276.74
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

ADX 10059 hydrochloride
CAS Number757949-98-7
PubChem CID18454771
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride
Molecular FormulaC15H14ClFN2
Molecular Weight276.73
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity343
SMILES
CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C.Cl
InChI
InChI=1S/C15H13FN2.ClH/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12;/h3-5,8-9H,17H2,1-2H3;1H
InChIKey
BDXXMGYKLQZXOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ADX 10059 hydrochloride
CAS: 757949-98-7
CID: 18454771
Formula: C15H14ClFN2
MW: 276.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.0829543
Monoisotopic Mass276.0829543
Topological Polar Surface Area38.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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