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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1CSCN1C(=O)[C@]12CC[C@@H](C[C@H]1C1=CN=C(Cl)C=C1)[N+]2(C)CC1=CC=CC=C1

InChIKey

InChIKey=HJKXHNJXCIIBKD-IAMUUIPOSA-N

Formula

C26H31ClN3O3S

Mass

501.06

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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

Epibatidine-skeleton - Alpha-amino acid ester - Alpha-amino acid amide - Pyrrolidinylpyridine - Alpha-amino acid or derivatives - Phenylmethylamine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Benzylamine - 2-halopyridine - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Aryl halide - Pyridine - Aryl chloride - Tetraalkylammonium salt - Heteroaromatic compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Thiazolidine - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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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