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Nicotinamide-n-oxide

CAS No.:
1986-81-8
Catalog Number:
AG002BNH
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$52
- +
5g
≥ 98% (HPLC)
1 week
United States
$67
- +
25g
≥ 98% (HPLC)
1 week
United States
$162
- +
100g
≥ 98% (HPLC)
1 week
United States
$499
- +
250g
≥ 98% (HPLC)
1 week
United States
$1149
- +
Product Description
Catalog Number:
AG002BNH
Chemical Name:
Nicotinamide-n-oxide
CAS Number:
1986-81-8
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00006202
IUPAC Name:
1-oxidopyridin-1-ium-3-carboxamide
InChI:
InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
InChI Key:
USSFUVKEHXDAPM-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)C(=O)N
EC Number:
217-859-4
UNII:
6UY6QXJ2DP
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Literature
Title Journal
Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes. Molecular bioSystems 20100501
Plasma and urine pharmacokinetics of niacin and its metabolites from an extended-release niacin formulation. International journal of clinical pharmacology and therapeutics 20070801
Effect of the rate of niacin administration on the plasma and urine pharmacokinetics of niacin and its metabolites. Journal of clinical pharmacology 20070601
Metabolites of the radiosensitizer nicotinamide are unlikely to contribute to the degree of emesis observed with the parent drug. Oncology research 20070101
Quantitative structure-activity relationships for small non-peptide antagonists of CXCR2: indirect 3D approach using the frontal polygon method. Bioorganic & medicinal chemistry 20060115
Effects of excess nicotinamide administration on the urinary excretion of nicotinamide N-oxide and nicotinuric acid by rats. Bioscience, biotechnology, and biochemistry 20040101
Expression of CD38 in human promyelocytic leukemia HL-60 cell line during differentiation by niacin-related compounds. Bioscience, biotechnology, and biochemistry 20030801
Non-enzymatic reduction of aliphatic tertiary amine N-oxides mediated by the haem moiety of cytochrome P450. Xenobiotica; the fate of foreign compounds in biological systems 20010101
Properties