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Structure Information
Structure

Compound Identification

SMILES

CC1(CC2(NC=CC=C2)S(=O)(=O)C2=CC=CC=C2)CN(CC(O)=O)C2=C1C=C(Cl)C=C2

InChIKey

InChIKey=LHAQLKHDQYDPNV-UHFFFAOYSA-N

Formula

C23H23ClN2O4S

Mass

458.96

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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 - Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonyl group - Indole or derivatives - Indole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Dihydropyridine - Aralkylamine - Hydropyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Sulfonyl - Sulfone - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - 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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