Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CN(CC#C)C(=O)[C@H]1CN(C)[C@@H]2CC3=C(Br)NC4=CC=CC(=C34)C2=C1

InChIKey

InChIKey=FWTCLZWHQXOPTF-JSUROZADSA-N

Formula

C21H24BrN3O4S

Mass

494.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lysergic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - Pyrroloquinoline - Quinoline - Isoindole or derivatives - Indole or derivatives - Indole - Benzenoid - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Haloacetylene or derivatives - Acetylide - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.

External Descriptors

Not available

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