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Imagabalin

CAT: 0931-T32143-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T32143-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
610300-07-7
Target
GABA Receptor, Others
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
Imagabalin is an active compound used in the study of neurological diseases.
Smiles
C([C@@H](CC(O)=O)N)[C@@H](CCC)C
Molecular Formula
C9H19NO2
Molecular Weight
173.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Imagabalin

Imagabalin has been investigated in Generalized Anxiety Disorder.

CAS Number610300-07-7
PubChem CID10236037
IUPAC Name(3S,5R)-3-amino-5-methyloctanoic acid
Molecular FormulaC9H19NO2
Molecular Weight173.25
XLogP-0.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
CCC[C@@H](C)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
JXEHXYFSIOYTAH-SFYZADRCSA-N
Chemical Structure
2D Structure
2D structure of Imagabalin
CAS: 610300-07-7
CID: 10236037
Formula: C9H19NO2
MW: 173.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.25
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass173.141578849
Monoisotopic Mass173.141578849
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3605289-01Imagabalin
TRC-I721400-1MGImagabalin Hydrochloride
KZA30000β-Amino acid imagabalin hydrochloride
MBS5769736beta-Amino Acid Imagabalin Hydrochloride

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