Compound Identification
SMILES
[O-]C(=O)\C=C/C([O-])=O.CC(C(=O)OC1CC2CCC(C1)N2C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VBUSCULTLLOSLM-BTJKTKAUSA-L
Formula
C21H24BrNO6
Mass
466.329
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropane alkaloids
Alternative Parents
Bromobenzenes Unsaturated fatty acids Piperidines Aryl bromides N-alkylpyrrolidines Dicarboxylic acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid salts Carboxylic acid esters Azacyclic compounds Carboxylic acids Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Tropane alkaloid - Halobenzene - Bromobenzene - Dicarboxylic acid or derivatives - Piperidine - Aryl bromide - Unsaturated fatty acid - N-alkylpyrrolidine - Aryl halide - Benzenoid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Pyrrolidine - Carboxylic acid salt - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors
Not available