Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC=C(Cl)C=C1)N2C
InChIKey
InChIKey=BGCYOUSDAWNICL-IUFLRUDPSA-N
Formula
C20H26ClNO8
Mass
443.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
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Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Piperidinecarboxylic acids Aralkylamines Beta hydroxy acids and derivatives Chlorobenzenes Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aryl chlorides N-alkylpyrrolidines Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Methyl esters Secondary alcohols Amino acids and derivatives 1,2-diols Trialkylamines Carboxylic acids Azacyclic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Halobenzene - Chlorobenzene - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Aryl chloride - Aryl halide - Fatty acid - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Alpha-hydroxy acid - Piperidine - N-alkylpyrrolidine - Hydroxy acid - Dicarboxylic acid or derivatives - Pyrrolidine - Methyl ester - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - 1,2-diol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available