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Guvacine

CAT: 0931-TN1717-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1717-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
498-96-4
Target
GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Neuroscience
Purity
0.9995
Bioactivity
Guvacine is a natural alkaloid and selective GAT (GABA transporter) inhibitor, serving as a lead structure for GAT inhibitors with psychoactive properties.
Smiles
O=C(O)C1=CCCNC1
Molecular Formula
C6H9NO2
Molecular Weight
127.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Guvacine

Guvacine is a alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. It has a role as a plant metabolite and a GABA reuptake inhibitor. It is a pyridine alkaloid, a tetrahydropyridine, a beta-amino acid, a secondary amino compound and an alpha,beta-unsaturated monocarboxylic acid.

CAS Number498-96-4
PubChem CID3532
IUPAC Name1,2,3,6-tetrahydropyridine-5-carboxylic acid
Molecular FormulaC6H9NO2
Molecular Weight127.14
XLogP-2.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity151
SMILES
C1CNCC(=C1)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChIKey
QTDZOWFRBNTPQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guvacine
CAS: 498-96-4
CID: 3532
Formula: C6H9NO2
MW: 127.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.14
XLogP3-2.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass127.063328530
Monoisotopic Mass127.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-N2482A-01Guvacine (hydrobromide)
sc-326455ABoc-guvacine
MBS5821673Guvacine hydrobromide

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