Compound Identification
SMILES
CCCCCCCCBr.CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
InChIKey
InChIKey=METXSEPTEFNPIT-ZZJGABIISA-N
Formula
C25H40BrNO3
Mass
482.503
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
Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Not available
Substituents
Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Hydroxy acid - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl bromide - 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