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CHEBI:78621 - monepantel

ChEBI IDCHEBI:78621
ChEBI Namemonepantel
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of p-[(trifluoromethyl)sulfanyl]benzoic acid with the amino group of (2S)-2-amino-3-hydroxy-2-methylpropanenitrile in which the hydroxy group has been converted to the corresponding 5-cyano-2-(trifluoromethyl)phenyl ether. A broad-spectrum nematicide, it is used to control gastrointestinal roundworms in sheep and goats.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H13F6N3O2S
Net Charge0
Average Mass473.398
Monoisotopic Mass473.06327
SMILESC[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1
InChIKeyWTERNLDOAPYGJD-SFHVURJKSA-N
Roles Classification
Applications:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
monepantel (CHEBI:78621) has role anthelminthic drug (CHEBI:35443)
monepantel (CHEBI:78621) has role nematicide (CHEBI:25491)
monepantel (CHEBI:78621) is a (trifluoromethyl)benzenes (CHEBI:83565)
monepantel (CHEBI:78621) is a aromatic ether (CHEBI:35618)
monepantel (CHEBI:78621) is a aryl sulfide (CHEBI:35683)
monepantel (CHEBI:78621) is a nitrile (CHEBI:18379)
monepantel (CHEBI:78621) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-{(2S)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl}-4-[(trifluoromethyl)sulfanyl]benzamide
INNs  Source
monepantelWHO MedNet
monepantelWHO MedNet
monépantelWHO MedNet
monepantelumWHO MedNet
Brand Name  Source
ZOLVIXChEBI
Registry NumbersSources
Reaxys:12337563Reaxys
CAS:887148-69-8ChemIDplus
Citations