Structure Information
Structure

Compound Identification

SMILES

C[C@@]12C[C@@H]3CC4=NC5=C(C=CC(Cl)=C5)C(N)=C4[C@@H](C1)[C@H]3N2S(C)(=O)=O

InChIKey

InChIKey=GIBJSDQKBFLJLP-BUDJLTQYSA-N

Formula

C18H20ClN3O2S

Mass

377.89

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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

Aromatic heteropolycyclic compounds

Substituents

Acridine - Benzoquinoline - Epibatidine-skeleton - Aminoquinoline - 4-aminoquinoline - Chloroquinoline - Haloquinoline - Quinoline - Indole or derivatives - Aminopyridine - Aryl chloride - Aryl halide - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Sulfonyl - Pyrrolidine - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - 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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