Lamotrigine N2-Oxide

Base Information

• Chemical Name: Lamotrigine N2-Oxide
• CAS No.: 136565-76-9
• Molecular Formula: C9H7Cl2N5O
• Molecular Weight: 272.09
• UNII: 38TV183VGM
• DSSTox Substance ID: DTXSID50568044
• Nikkaji Number: J413.134G
• Wikidata: Q27256819
• Mol file: 136565-76-9.mol

Synonyms:Lamotrigine N2-Oxide;136565-76-9;UNII-38TV183VGM;38TV183VGM;6-(2,3-dichlorophenyl)-2-hydroxy-3-imino-1,2,4-triazin-5-amine;Lamotrigine-N2-oxide;Lamotrigine N2-Oxide (90%);DTXSID50568044;NS00073858;Q27256819;5-Amino-6-(2,3-dichlorophenyl)-3-imino-1,2,4-triazin-2(3H)-ol

Chemical Property of Lamotrigine N2-Oxide

Chemical Property:

• Melting Point: 265-269°C (dec.)
• Boiling Point: 549.9±60.0 °C(Predicted)
• PKA: -0.83±0.19(Predicted)
• PSA: 100.81000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: 2.23180
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.0027653
• Heavy Atom Count: 17
• Complexity: 397

Purity/Quality:

97% ^*data from raw suppliers

Lamotrigine N2-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NN(C(=N)N=C2N)O
• Uses: Lamotrigine analog for production of anti-lamotrigine antibodies,(Lamotrigine N2-Oxide) can be used as immunoassay reagent.