Monepantel
N-[(2S)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
Molecular Identity
Monepantel
N-[(2S)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID: 44449087
Monepantel is 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. It has a role as a nematicide and an anthelminthic drug. It is a secondary carboxamide, a nitrile, an aromatic ether, an aryl sulfide and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C20H13F6N3O2S
Molecular Formula
473.40
Molecular Weight
g/mol
473.0633
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
111
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
763
Complexity
SMILES
Canonical SMILES
SMILES: CC(COC1=C(C=CC(=C1)C#N)C(F)(F)F)(C#N)NC(=O)C2=CC=C(C=C2)SC(F)(F)FIsomeric SMILES
SMILES: C[C@@](COC1=C(C=CC(=C1)C#N)C(F)(F)F)(C#N)NC(=O)C2=CC=C(C=C2)SC(F)(F)FSynonyms(20)
Monepantel887148-69-8monepantelum82MA79VJ33CHEBI:78621ZOLVIX COMPONENT MONEPANTELRefChem:159492DTXCID201435157DTXSID001008318Monepantel [INN]ZOLVIXAAD1566UNII-82MA79VJ33N-[(2S)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamideN-(2-Cyano-1-((2S)-5-cyano-2-(trifluoromethyl)phenoxy)propan-2-yl)-4-(trifluoromethylsulfanyl)benzamide
Data from PubChem (NCBI)
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