Arecoline

Systematic / IUPAC Name: Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate

ID: Reference5850

Other Names: Arecaline;
Arecholin;
Arecholine;
Arecolin;
Arecoline base ; more

Formula: C8H13NO2

Class: Endogenous Metabolites

Spectral Data

Arecoline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 319
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 5/16/2018 10:48:21 AM
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Identificators

InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
InChI Key HJJPJSXJAXAIPN-UHFFFAOYSA-N
Canonical SMILES CN1CCC=C(C1)C(=O)OC
CAS
Splash
Other Names Arecaline;
Arecholin;
Arecholine;
Arecolin;
Arecoline base;
Arekolin;
N-Methyl-δ-tetrahydronicotinic acid methyl ester;
N-Methyltetrahydronicotinic acid, methyl ester;
N-Methyltetrahydropyridine-β-carboxylic acid methyl ester;
1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid, methyl ester;
1,2,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester;
1-Methyl-δ(sup 3,4)tetrahydro-3-pyridinecarboxylate;
1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester;
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl, methyl ester;
Arecaidine methyl ester;
Methyl N-methyl-1,2,5,6-tetrahydronicotinate;
Methyl N-methyltetrahydronicotinate;
Methyl 1,2,5,6-tetrahydro-1-methylnicotinate;
Methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate;
Methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;
Methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate;
Methylarecaiden;
Methylarecaidin;
Methylarecaidine;
Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl, methyl ester

In Other Databases

PubChem 2230
ChemSpider 13872064
HMDb HMDB30353
ChEBI CHEBI:2814
DrugBank DB04365
KEGG C10129
Wikipedia Arecoline
ChEMBL CHEMBL7303