ChemicalBook--->CAS DataBase List--->498-96-4

498-96-4

498-96-4 Structure

498-96-4 Structure
IdentificationBack Directory
[Name]

GUVACINE HYDROCHLORIDE
[CAS]

498-96-4
[Synonyms]

GUVACINE
GUVACINE-HCL
GUVACINE HYDROCHLORIDE
1,2,5,6-tetrahydronicotinic acid
1,2,3,6-tetrahydropyridine-5-carboxylic acid
1,2,5,6-Tetrahydropyridine-3-carboxylic acid
1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-
1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
1,2,5,6-tetrahydropyridine-3-carboxylic acid(SALTDATA: HCl)
[Molecular Formula]

C6H10ClNO2
[MDL Number]

MFCD00055191
[MOL File]

498-96-4.mol
[Molecular Weight]

163.6
Chemical PropertiesBack Directory
[Melting point ]

295°C (rough estimate)
[Boiling point ]

235.91°C (rough estimate)
[density ]

1.1931 (rough estimate)
[refractive index ]

1.4645 (estimate)
[storage temp. ]

Store at RT
[solubility ]

H2O: soluble
[form ]

solid
[pka]

3.61±0.20(Predicted)
[color ]

white
[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
[SMILES]

C1NCCC=C1C(O)=O
[CAS DataBase Reference]

498-96-4
Hazard InformationBack Directory
[Definition]

ChEBI: 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.
[Biological Activity]

Specific GABA uptake inhibitor. IC 50 values are 14, 58, 119 and 1870 mM for hGAT-1, rGAT-2, hGAT-3 and hBGT-1 respectively.
[Uses]

Guvacine Hydrochloride is a GABA uptake inhibitor (hGABA T-1, rGABA T-2, hGABA T-3 and hBGT-1) (1,2,3). Gamma-Aminobutyric acid (GABA) is the major inhibitory neurotransmitter in the mammalian brain (4). Guvacine Hydrochloride may be useful for treating neuropsychiatric disorders.
[storage]

Store at -20°C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HazardClass ]

IRRITANT
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