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Chemical structure of Monepantel (AAD1566)

GC34079

Monepantel (AAD1566)

Also known as N-[(2R)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide

Monepantel (AAD1566) is organic anthelmintic, and acts as a positive allosteric modulator of a nematode-specific clade of nicotinic acetylcholine receptor (nAChR) subunits

ChemicalCAS887148-69-8MW473.39FormulaC20H13F6N3O2S
CAS number
887148-69-8
Molecular weight
473.39
Formula
C20H13F6N3O2S
Solubility
DMSO ： ≥ 100 mg/mL (211·24 mM)
InChIKey
WTERNLDOAPYGJD-GOSISDBHSA-N
Catalogue number
GC34079
Brand
GLPBIO
Computed properties PubChem CID 11705546 · XLogP 5.2 · TPSA 111 Ų · H-bond donors 1
XLogP
5.2
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
32

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)F

Computed descriptors from PubChem (CID 11705546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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