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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Lysergic acids and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
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
Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines Isoindoles and derivatives Indoles N-acyl amines Benzenoids Tertiary carboxylic acid amides Pyrrolines Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Vinyl bromides Haloacetylenes and derivatives Dialkylamines Bromoalkenes Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
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