Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(CN2[C@@H]3CC(F)(F)[C@@H]2C[C@@H](CC(O)=O)C3)NC(=N[C@H]1C1=C(C)C(F)=C(F)C=C1)C1=NC=CS1

InChIKey

InChIKey=IHBAHDYOBROGMP-VKLAREITSA-N

Formula

C26H26F4N4O4S

Mass

566.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Tropane alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tropane alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Tropane alkaloid - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyrimidine - Piperidine - N-alkylpyrrolidine - Benzenoid - Imidolactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Methyl ester - Vinylogous amide - Azole - Thiazole - Pyrrolidine - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Enamine - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Alkyl halide - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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

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