Compound Identification
SMILES
[Br-].CC(C)CCO[C@@]12CCC(=O)[C@]3(C)OC4=C(O)C=CC5=C4[C@]13CC[NH+](C)[C@@H]2C5
InChIKey
InChIKey=RDRXQTOXORFQDF-NWKBEHDCSA-N
Formula
C23H32BrNO4
Mass
466.416
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Isoquinolones and derivatives Tetralins Coumarans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Quaternary ammonium salts Trialkylamines Ketones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organic bromide salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Isoquinolone - Tetralin - Coumaran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Piperidine - Quaternary ammonium salt - Ketone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Amine - Organic bromide salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available