1-(3-Pyridyl)ethan-1-oneoxime

CAS: 5973-83-1

Ref. 3D-FP150952

Product Information

• Name: 1-(3-Pyridyl)ethan-1-oneoxime
• Synonyms: (1E)-N-Hydroxy-1-(pyridin-3-yl)ethanimine, 1-(3-Pyridinyl)ethanone oxime, 1-(3-Pyridyl)Ethan-1-One Oxime, 1-(Pyridin-3-yl)ethanoneoxime, 1-Pyridin-3-yl-ethanone oxime, 3-Acetylpyridine oxime, 5973-83-1, Ethanone, 1-(3-pyridinyl)-, oxime, Ethanone, 1-(3-pyridinyl)-, oxime (9CI), Ethanone, 1-(3-pyridinyl)-, oxime, (1E)-, Ketone, methyl 3-pyridyl, oxime, NSC 72375
• CAS: 5973-83-1

Description

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.

• Brand: Biosynth

Chemical properties

• Molecular weight: 136.15 g/mol
• Formula: C₇H₈N₂O
• Purity: Min. 95%
• InChI: InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
• InChI key: InChIKey=MSRXORUOQNNOKN-RMKNXTFCSA-N
• SMILES: C/C(=N\O)c1cccnc1