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Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)C1=C2C3=C(NC=C3C[C@H]3N(CCO[C@]23C)C(=O)CCl)C=C1

InChIKey

InChIKey=USUVTQOFZOQAIK-NEEKEDPPSA-N

Formula

C31H39ClN2O4S

Mass

571.17

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Oxaergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxaergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Oxaergoline skeleton - 3-alkylindole - Phenylpropane - Cumene - Benzenesulfonyl group - Indole - Isoindole or derivatives - Indole or derivatives - Monocyclic benzene moiety - Oxazinane - Benzenoid - Morpholine - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Chloroacetamide - Pyrrole - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl chloride - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.

External Descriptors

Not available

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