Compound Identification
SMILES
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1C1=CC=C(F)C=C1)N2CCCN(CCS)CC(=O)NCCS
InChIKey
InChIKey=NFUMPHQAMUYRPC-VYTWWXLVSA-N
Formula
C24H36FN3O3S2
Mass
497.69
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 Alpha amino acid amides Piperidinecarboxylic acids Aralkylamines Fluorobenzenes N-alkylpyrrolidines Aryl fluorides Methyl esters Trialkylamines Secondary carboxylic acid amides Alkylthiols Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Alpha-amino acid amide - Phenylpiperidine - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Fluorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Alkylthiol - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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