Compound Identification
SMILES
CC(=O)N1CC(C(O)C2C=CC3C(N2NC2=C(Cl)C=C(Cl)C=C2)C(=O)NC3=O)C2=CC=CC=C12
InChIKey
InChIKey=WJJUJGOUHXFSBZ-UHFFFAOYSA-N
Formula
C24H22Cl2N4O4
Mass
501.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 10,11-secoergolines
-
Superclass
Alkaloids and derivatives
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
Ergoline and derivatives Alpha amino acids and derivatives Pyrrolopyridines Indoles and derivatives Dichlorobenzenes Phenylhydrazines Pyrrolidine-2-ones Aryl chlorides Pyridines and derivatives N-unsubstituted carboxylic acid imides Acetamides Dicarboximides Tertiary carboxylic acid amides Lactams Secondary alcohols Azacyclic compounds Alkylhydrazines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Alpha-amino acid or derivatives - Indole or derivatives - Pyrrolopyridine - 1,3-dichlorobenzene - Phenylhydrazine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyridine - Pyrrolidine - Dicarboximide - Tertiary carboxylic acid amide - Acetamide - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Carboxamide group - Secondary alcohol - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkylhydrazine - Organochloride - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Hydrazine derivative - Organohalogen compound - 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