Derquantel
Grundinformationen
- CAS
187865-22-1- Standard-SMILES
CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(CNc6c5ccc5c6OC=CC(C)(C)O5)C[C@@]41CN2CC[C@@]3(C)O- InChIKey
DYVLXWPZFQQUIU-WGNDVSEMSA-N- Summenformel
- C28H37N3O4
- Durchschnittliche Molmasse
- 479,6 g/mol
- Monoisotopische Masse
- 479,27840667
Überblick
Derquantel is an azaspiro compound.
Namen und Bezeichner
- Bevorzugter Name
- Derquantel
- IUPAC
- (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
- Englischer Name
- derquantel
- Summenformel
- C28H37N3O4
- Molmasse
- 479.61
Namen und Synonyme
Derquantel187865-22-1Dercuantelderquantelum0L0UGK6OOXPF-00520904RefChem:585771Derquantel (USAN/INN)(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-oneDerquantel [USAN]Derquantel [USAN:INN]UNII-0L0UGK6OOX
Weitere Namen anzeigen
2-DeoxoparaherquamideDerquantel in methanol2-DeoxoparaherquaMide, 2-DeoxoparaherquaMide A, 2-DesoxoparaherquaMide A, PF 00520904, PNU 141962Spiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,7'(8'H)-[5H,6H-5a,9a](iminomethano)[1H]cyclopent[f]indolizin]-10'-one, 2',3',8'a,9,9',10-hexahydro-1'-hydroxy-1',4,4,8',8',11'-hexamethyl-, (1'R,5'aS,7'R,8'aS,9'aR)-
Derquantel [MI]DERQUANTEL [INN]orb1704581CHEMBL2103805SCHEMBL29378869DTXSID50940260CHEBI:188884C28H37N3O4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 74,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 1.010
Experimentelle und physikochemische Eigenschaften
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physikochemische Eigenschaften
- Siedepunkt
- 641.3 · 641.3±55.0 °C(Predicted)
- Dichte
- 1.34 · 1.34
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- Aggregatzustand
- A solid
- pka
- 15.18 · 15.18±0.60(Predicted)
- Farbe
- White to off-white
- JECFA Number
- 75 · 75
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationVeterinary Drug -> VETERINARY_DRUG -> JECFA Functional Classes
Anwendungen
BeschreibungDerquantel is an anthelmintic spiroindole that acts as a nicotinic acetylcholine receptor antagonist, causing flaccid paralysis and expulsion of nematodes. A combination of derquantel and the macrocyclic lactone, abamectin , has been found to have synergistic anthelmintic effects against gastrointestinal nematode parasites in sheep.
VerwendenDerquantel 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 isa 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 nicotinic acetylcholine receptors acting as an antagonist of acetylcholine.
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