

1-(3-Pyridyl)ethan-1-oneoxime
CAS:
Ref. 3D-FP150952


Informação sobre produto
Nome:1-(3-Pyridyl)ethan-1-oneoxime
Marca:Biosynth
Descrição:1-(3-Pyridyl)ethan-1-oneoxime is a synthetic compound that has been shown to inhibit butyrylcholinesterase. The molecular electrostatic potential of this compound is calculated using the MM2 program, and it is found to be -0.17 eV. It is predicted that 1-(3-Pyridyl)ethan-1-oneoxime will interact with anions such as ClO4-. The postulated interactions are based on connectivity and the kinetics of this molecule. Interaction energies are calculated using MM2, and they are found to be -0.22 eV for the acceptor and -0.04 eV for the cholinesterases.
Aviso:Os nossos productos estão destinados exclusivamente para uso em laboratório. Para qualquer outra aplicação, por favor entre em contacto.
Propriedades químicas
Peso molecular:136.15 g/mol
Fórmula:C7H8N2O
Pureza:Min. 95%
InChI:InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
Chave InChI:InChIKey=MSRXORUOQNNOKN-RMKNXTFCSA-N
SMILES:C/C(=N\O)c1cccnc1