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Derquantel is a semi-synthetic paraherquamide analogue prepared by removal of the 2-oxo group in a four-step sequence of N-protection, reduction, N-deprotection and a final reduction. Derquantel is a potent nematocide and was the first paraherquamide to be successfully commercialised in combination with avermectin. Derquantel, like other paraherquamides, induces a flaccid paralysis in nematodes thought to be due to inhibition of AChR (nicotinic acetylcholine receptors) acting as an antagonist of acetylcholine.
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Consultar COA →Resumo de referência rápida das especificações e aplicações do produto.
Ver ficha técnica →Atributos de qualidade completos e critérios de aceitação para este grau.
Ver folha de especificações →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Alpha amino acids and derivatives Indolines Indolizidines 1,4-dioxepines Alkyl aryl ethers Aralkylamines Delta lactams N-methylpiperazines Piperidinones Secondary alkylarylamines N-alkylpyrrolidines Benzenoids Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Azaspirodecane - Indole or derivatives - Dihydroindole - Indolizidine - 1,4-dioxepine - Alkyl aryl ether - Delta-lactam - Dioxepine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Piperidinone - Secondary aliphatic/aromatic amine - 1,4-diazinane - Benzenoid - N-alkylpyrrolidine - Piperazine - Piperidine - Tertiary alcohol - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Secondary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| Solubilidade | Soluble in ethanol, methanol, DMSO, DMF, and water (poorly). |
|---|---|
| Índice de refração | n20D1.67 (Predicted) |
| Ponto de ebulição (°C) | ~641.3° C at 760 mmHg (Predicted) |
| Peso molecular | 479.600 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 479.278 Da |
| Monoisotopic Mass | 479.278 Da |
| Topological Polar Surface Area | 74.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 1010.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
