CHEBI:78621 - monepantel

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ChEBI Name monepantel ChEBI ID CHEBI:78621 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H13F6N3O2S Net Charge 0 Average Mass 473.39200 Monoisotopic Mass 473.06327 InChI InChI=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 InChIKey WTERNLDOAPYGJD-SFHVURJKSA-N SMILES C[C@](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c1ccc(SC(F)(F)F)cc1)C#N Roles Classification Application(s): anthelminthic drug Substance intended to kill parasitic worms (helminths). nematicide A substance used to destroy pests of the phylum Nematoda (roundworms). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources monepantel WHO MedNet monepantel WHO MedNet monépantel WHO MedNet monepantelum WHO MedNet Brand Name Source ZOLVIX ChEBI Registry Numbers Types Sources 12337563 Reaxys Registry Number Reaxys 887148-69-8 CAS Registry Number ChemIDplus Citations Types Sources 19795134 PubMed citation Europe PMC 19898870 PubMed citation Europe PMC 20382949 PubMed citation Europe PMC 21257429 PubMed citation Europe PMC 21257441 PubMed citation Europe PMC 22075043 PubMed citation Europe PMC 22177334 PubMed citation Europe PMC 22576857 PubMed citation Europe PMC 23183590 PubMed citation Europe PMC 23950710 PubMed citation Europe PMC 23953148 PubMed citation Europe PMC 24212673 PubMed citation Europe PMC 24616229 PubMed citation Europe PMC 24647279 PubMed citation Europe PMC Last Modified 07 March 2018