Compound Identification
SMILES
[I-].COC1=C(O)C2=C3C(CC22C=C(Br)C(=O)C(Br)=C2)[N+](C)(C)CCC3=C1
InChIKey
InChIKey=NSQRHJRXUYVZAR-UHFFFAOYSA-N
Formula
C19H20Br2INO3
Mass
597.085
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Proaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Proaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Proaporphines
Alternative Parents
Tetrahydroisoquinolines Indanes Anisoles Alkyl aryl ethers Phenols Aralkylamines Tetraalkylammonium salts Alpha-haloketones Cyclic ketones Vinyl bromides Azacyclic compounds Bromoalkenes Organobromides Organic oxides Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Aralkylamine - Benzenoid - Alpha-haloketone - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Cyclic ketone - Ether - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Organic iodide salt - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.
External Descriptors
Not available