Epibatidine

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Systematic / IUPAC Name: 2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

ID: Reference7271

Other Names: 2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane;
2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane;
2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane;
7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-

Formula: C11H13ClN2

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Epibatidine 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/18/2018 1:01:39 PM
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Identificators

InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChI Key NLPRAJRHRHZCQQ-UHFFFAOYSA-N
Canonical SMILES C1CC2C(CC1N2)C3=CN=C(C=C3)Cl
CAS
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Other Names 2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane;
2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane;
2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane;
7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-

In Other Databases

PubChem 1204
ChEBI CHEBI:91678
Wikipedia Epibatidine
ChemSpider 1167
ChEMBL CHEMBL6623