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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Pyrrolidinylpyridines Sugar acids and derivatives Short-chain hydroxy acids and derivatives 2-halopyridines Aralkylamines Beta hydroxy acids and derivatives Monosaccharides Alpha hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Aryl chlorides Pyrrolidines Heteroaromatic compounds Secondary alcohols 1,2-diols Dialkylamines Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
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