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Structure Information
Structure

Compound Identification

SMILES

CC1(C)CNC(=O)C2=C(C1)N=C(S2)N1CCCC[C@@H]1CC1CNC2=CC=CC=C12

InChIKey

InChIKey=BTRQYIZWBUQOMM-OEMAIJDKSA-N

Formula

C23H30N4OS

Mass

410.58

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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 - Indole or derivatives - Dihydroindole - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - Azepine - Secondary aliphatic/aromatic amine - Aralkylamine - Piperidine - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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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