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499-04-7

499-04-7 Structure

499-04-7 Structure
IdentificationBack Directory
[Name]

ARECAIDINE BUT-2-YNYL ESTER TOSYLATE
[CAS]

499-04-7
[Synonyms]

arecaine
NSC 76017
arecaidine
methylguvacine
N-methylguvacine
ARECAIDINE BUT-2-YNYL ESTER TOSYLATE
1,2,5,6-tetrahydro-1-methyl-nicotinicaci
NICOTINICACID,1,2,5,6-TETRAHYDRO-1-METHYL-
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylicaci
1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylicacid
1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
1,2,5,6-Tetrahydro-1-methylpyridine-3-carboxylic acid
1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid but-2-ynyl ester tosylate
N-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID BUT-2-YNYL ESTER TOSYLATE
[Molecular Formula]

C18H23NO5S
[MDL Number]

MFCD00153913
[MOL File]

499-04-7.mol
[Molecular Weight]

365.44
Chemical PropertiesBack Directory
[Appearance]

Crystalline Solid
[Melting point ]

232°C (dec.)
[Boiling point ]

104-112℃ (14-16 Torr)
[density ]

1.166±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5026 (estimate)
[Fp ]

115.1±25.9℃
[storage temp. ]

Store at RT
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

pKa 9.07(H2O t=25)(Approximate)
[color ]

Plates from dil alc
[InChI]

InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
[InChIKey]

DNJFTXKSFAMXQF-UHFFFAOYSA-N
[SMILES]

C1N(C)CCC=C1C(O)=O
[LogP]

0.770 (est)
[CAS DataBase Reference]

499-04-7
Hazard InformationBack Directory
[Chemical Properties]

Crystalline Solid
[Uses]

A metabolite of Arecoline, a cholinergic agonist.
[Biological Activity]

Potent muscarinic agonist, 4.6-fold selective for M 2 receptors in the atrium versus those in the ileum.
[Definition]

ChEBI: Arecaidine is a citraconoyl group.
[Safety Profile]

Mutation data reported. Whenheated to decomposition it emits toxic fumes of NOx.
[storage]

Store at -20°C
Safety DataBack Directory
[Toxicity]

sce-mus-ipr 1 g/kg/5D-I CALEDQ 23,189,84
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