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
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 Indolyl carboxylic acids and derivatives Alpha amino acids Benzenesulfonyl compounds Indoles Dialkylarylamines Aralkylamines Dihydropyridines Aryl chlorides Sulfones Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
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