Compound Identification
SMILES
O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.C1CN=C(N1)C1CN2CCC1CC2
InChIKey
InChIKey=NIJKUXANPPTIAM-WBPXWQEISA-J
Formula
C18H25N3O12
Mass
475.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Piperidines Monosaccharides Imidolactams Fatty acids and conjugates Dicarboxylic acids and derivatives Imidazolines Trialkylamines Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxamidines Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Quinuclidine - Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Imidolactam - Monosaccharide - Piperidine - 2-imidazoline - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Carboximidamide - Organic oxide - Amine - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available