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Atagabalin

CAT: 0931-T30188-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30188-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
223445-75-8
Target
Others, GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Neuroscience, Others
Bioactivity
Atagabalin, also known as PD 0200390, is a gabamimetic agent under development for the treatment for insomnia. Atagabalin is related to gabapentin, which similarly binds to the α2δ calcium channels (1 and 2) . It was discontinued following unsatisfactory trial results.
Smiles
C(C(O)=O)[C@]1(CN)C[C@H](C)[C@@H](C)C1
Molecular Formula
C10H19NO2
Molecular Weight
185.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Atagabalin

Atagabalin is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

CAS Number223445-75-8
PubChem CID9794485
IUPAC Name2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
Molecular FormulaC10H19NO2
Molecular Weight185.26
XLogP-1.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN
InChI
InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
InChIKey
IUVMAUQEZFTTFB-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of Atagabalin
CAS: 223445-75-8
CID: 9794485
Formula: C10H19NO2
MW: 185.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.26
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass185.141578849
Monoisotopic Mass185.141578849
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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
MBS5779824Atagabalin
A13402-100Atagabalin 100mg
GTR19213803-01Atagabalin HCl
A13402-50Atagabalin 50mg
A13402-25Atagabalin 25mg
A13402-10Atagabalin 10mg
A13402-5Atagabalin 5mg
GTR19219689-01(Iso) -Atagabalin HCl
MBS5802411(Iso)-Atagabalin HCl
HY-14856A-01Iso-Atagabalin (hydrochloride)

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