Guvacine

CAT: 0931-TN1717-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1717-04Size:25 mg

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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 Number	498-96-4
PubChem CID	3532
IUPAC Name	1,2,3,6-tetrahydropyridine-5-carboxylic acid
Molecular Formula	C6H9NO2
Molecular Weight	127.14
XLogP	-2.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	151

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

CAS: 498-96-4

CID: 3532

Formula: C6H9NO2

MW: 127.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	127.14
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	127.063328530
Monoisotopic Mass	127.063328530
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T5805-01	Guvacoline hydrochloride
T21725-01	Guvacoline hydrobromide

Alternative Products

Catalog	Name
HY-N2482	Guvacine
B6229-50	Guvacine hydrochloride
HY-N2482A-01	Guvacine (hydrobromide)
563605	Guvacine HCl
sc-326455A	Boc-guvacine
MBS5821673	Guvacine hydrobromide

Guvacine

Chemical Information

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