Compound Identification
SMILES
Cl[H].[H]N([H])C(=O)N([H])[H].[H]OC([H])(C1=C2C([H])=C(OC([H])([H])[H])C([H])=C([H])C2=NC([H])=C1[H])[C@@]1([H])N2C([H])([H])C([H])([H])[C@@]([H])(C1([H])[H])[C@@]([H])(C([H])=C([H])[H])C2([H])[H]
InChIKey
InChIKey=VSBIHZIPRXLKFY-VCCUPFPKSA-N
Formula
C21H29ClN4O3
Mass
420.94
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
4-quinolinemethanols Quinuclidines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Ureas Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Quinuclidine - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carbonic acid derivative - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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