Structure Information
Structure

Compound Identification

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.ClC1=NC=C(C=C1)[C@@H]1C[C@H]2CC[C@@H]1N2

InChIKey

InChIKey=FEDAFYKDROCDJT-SIZPAGCESA-N

Formula

C15H19ClN2O6

Mass

358.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Epibatidine analogues

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Epibatidine analogues

Alternative Parents

Molecular Framework

Not available

Substituents

Epibatidine-skeleton - Pyrrolidinylpyridine - 2-halopyridine - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Beta-hydroxy acid - Monosaccharide - Hydroxy acid - Pyridine - Alpha-hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Pyrrolidine - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.

External Descriptors

Not available

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