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Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1CC(C)(CC2(NC=CC=C2)S(=O)(=O)C2=CC=CC=C2)C2=C1C=CC(Cl)=C2

InChIKey

InChIKey=RKKBEEXUGNJTLS-UHFFFAOYSA-N

Formula

C24H25ClN2O4S

Mass

472.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

10,11-secoergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

10,11-secoergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

10,11-secoergoline - Ergoline skeleton - Alpha-amino acid ester - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - Benzenesulfonyl group - Indole or derivatives - Indole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Dihydropyridine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Methyl ester - Sulfonyl - Sulfone - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 10,11-secoergolines. These are ergoline derivatives, where carbon atoms C10 and C11 of the ergoline moiety are not linked to each other.

External Descriptors

Not available

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