Compound Identification
SMILES
[Br-].OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1.CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
InChIKey
InChIKey=BNVGYCPZZHPDEE-UHFFFAOYSA-M
Formula
C33H53BrN2O10S
Mass
749.76
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
Benzyl alcohols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Organic sulfuric acids Tetraalkylammonium salts Carboxylic acid esters 1,2-aminoalcohols Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Primary alcohols Aromatic alcohols Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Tropane alkaloid - Benzyl alcohol - Phenol - Sulfuric acid - Aralkylamine - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy acid - Benzenoid - N-alkylpyrrolidine - Piperidine - Monocyclic benzene moiety - Pyrrolidine - Organic sulfuric acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Secondary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic salt - Organic oxygen compound - Organic bromide salt - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic alcohol - Primary alcohol - Organic oxide - 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