for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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.
| pKa | pKₐ: 7.63 (Predicted) |
|---|
| Canonical Smiles | CC1(C=COC2=C(O1)C=CC3=C2NCC34CC56CN7CCC(C7(CC5C4(C)C)C(=O)N6C)(C)O)C |
|---|---|
| IUPAC Name | (1S,6R,7R,9S,11R)-6-hydroxy-4',4',6,10,10,13-hexamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,8'-9,10-dihydro-[1,4]dioxepino[2,3-g]indole]-14-one |
| InChIKey | DYVLXWPZFQQUIU-WGNDVSEMSA-N |
| INCHI | 1S/C28H37N3O4/c1-23(2)10-12-34-21-18(35-23)8-7-17-20(21)29-15-26(17)14-27-16-31-11-9-25(5,33)28(31,22(32)30(27)6)13-19(27)24(26,3)4/h7-8,10,12,19,29,33H,9,11,13-16H2,1-6H3/t19-,25+,26-,27+,28-/m0/s1 |
| Isomeric SMILES | C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@]5(C4(C)C)CNC6=C5C=CC7=C6OC=CC(O7)(C)C)N(C3=O)C)O |
| PubChem CID | 25154194 |
| Molecular Weight | 479.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | 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 |
| Description | 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 |
| Solubility | Soluble in ethanol, methanol, DMSO, DMF, and water (poorly). |
|---|---|
| Refractive Index | n20D1.67 (Predicted) |
| Boil Point(°C) | ~641.3° C at 760 mmHg (Predicted) |
| Molecular Weight | 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 |
