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Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(=NC2=C(Cl)C(=NN12)C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@@H]12)C1=CC=CS1

InChIKey

InChIKey=UATSORGDFWLUQU-ZFWWWQNUSA-O

Formula

C22H23ClF3N4O2S

Mass

499.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Lupin alkaloids

Subclass

Lupinine-type alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Lupinine-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lupinine - Quinolizidine - Quinolizine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Piperidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Pyrazole - Thiophene - Quaternary ammonium salt - Azole - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Amine - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lupinine-type alkaloids. These are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine.

External Descriptors

Not available

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