Compound Identification
SMILES
[Br-].O[C@@H]([C@H]1C[C@@H]2CC[N+]1(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C[C@@H]2C=C)C1=CC=NC2=CC=CC=C12
InChIKey
InChIKey=CLNARDUAXMLYOH-PKCGNUCGSA-M
Formula
C28H27BrF6N2O
Mass
601.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Cinchona alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cinchona alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinchona alkaloids
Alternative Parents
N-benzylpiperidines 4-quinolinemethanols Trifluoromethylbenzenes Benzylamines Phenylmethylamines Quinuclidines Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organofluorides Organic zwitterions Organic bromide salts Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - N-benzylpiperidine - Benzylpiperidine - 4-quinolinemethanol - Quinoline - Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Quinuclidine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Alcohol - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic bromide salt - Aromatic alcohol - Amine - Organic zwitterion - Alkyl halide - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available