Compound Identification
SMILES
COCCC1=CC(CN(C2CC2)C(=O)C2C3CCC(CC2C2=CN=C(C=C2)N2CCC(C2)OC2=C(Cl)C=C(C)C=C2Cl)N3C(=O)OC(C)(C)C)=C(Cl)C=C1
InChIKey
InChIKey=DIVBQZUXVTXWAY-UHFFFAOYSA-N
Formula
C42H51Cl3N4O5
Mass
798.24
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
Piperidinecarboxamides Piperidinecarboxylic acids Dialkylarylamines Dichlorobenzenes Phenol ethers Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Aminopyridines and derivatives Toluenes Imidolactams Aryl chlorides Heteroaromatic compounds Carbamate esters Tertiary carboxylic acid amides Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-piperidinecarboxamide - Piperidinecarboxamide - Piperidinecarboxylic acid - Tropane alkaloid - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid - Dialkylarylamine - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Imidolactam - Benzenoid - Piperidine - Pyridine - Carbamic acid ester - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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