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1986-81-8,MFCD00006202
Catalog No.:AA002BKP

1986-81-8 | Nicotinamide-n-oxide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
98%
in stock  
$48.00   $34.00
- +
25g
98%
in stock  
$126.00   $88.00
- +
100g
98%
in stock  
$285.00   $200.00
- +
500g
98%
in stock  
$342.00   $240.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002BKP
Chemical Name:
Nicotinamide-n-oxide
CAS Number:
1986-81-8
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00006202
SMILES:
[O-][n+]1cccc(c1)C(=O)N
Properties
Properties
 
Form:
Solid  
MP:
291-293˚C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.3  

Literature

Title: Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes.

Journal: Molecular bioSystems 20100501

Title: Plasma and urine pharmacokinetics of niacin and its metabolites from an extended-release niacin formulation.

Journal: International journal of clinical pharmacology and therapeutics 20070801

Title: Effect of the rate of niacin administration on the plasma and urine pharmacokinetics of niacin and its metabolites.

Journal: Journal of clinical pharmacology 20070601

Title: Metabolites of the radiosensitizer nicotinamide are unlikely to contribute to the degree of emesis observed with the parent drug.

Journal: Oncology research 20070101

Title: Quantitative structure-activity relationships for small non-peptide antagonists of CXCR2: indirect 3D approach using the frontal polygon method.

Journal: Bioorganic & medicinal chemistry 20060115

Title: Effects of excess nicotinamide administration on the urinary excretion of nicotinamide N-oxide and nicotinuric acid by rats.

Journal: Bioscience, biotechnology, and biochemistry 20040101

Title: Expression of CD38 in human promyelocytic leukemia HL-60 cell line during differentiation by niacin-related compounds.

Journal: Bioscience, biotechnology, and biochemistry 20030801

Title: Non-enzymatic reduction of aliphatic tertiary amine N-oxides mediated by the haem moiety of cytochrome P450.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20010101

Title: Real AM, et al. Nicotinamide N-oxidation by CYP2E1 in human liver microsomes. Drug Metab Dispos. 2013 Mar;41(3):550-3.

Title: Cutshall NS, et al. Nicotinamide N-oxides as CXCR2 antagonists. Bioorg Med Chem Lett. 2001 Jul 23;11(14):1951-4.

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SDS
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Tags:1986-81-8 Molecular Formula|1986-81-8 MDL|1986-81-8 SMILES|1986-81-8 Nicotinamide-n-oxide
Catalog No.: AA002BKP
1986-81-8,MFCD00006202
1986-81-8 | Nicotinamide-n-oxide
Pack Size： 1g
Purity： 98%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 98%
in stock
$48.00 $34.00
Pack Size： 25g
Purity： 98%
in stock
$126.00 $88.00
Pack Size： 100g
Purity： 98%
in stock
$285.00 $200.00
Pack Size： 500g
Purity： 98%
in stock
$342.00 $240.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002BKP
Chemical Name: Nicotinamide-n-oxide
CAS Number: 1986-81-8
Molecular Formula: C6H6N2O2
Molecular Weight: 138.1240
MDL Number: MFCD00006202
SMILES: [O-][n+]1cccc(c1)C(=O)N
Properties
Form: Solid  
MP: 291-293˚C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 138  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.3  
Literature fold

Title: Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20111201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes.

Journal: Molecular bioSystems20100501

Title: Plasma and urine pharmacokinetics of niacin and its metabolites from an extended-release niacin formulation.

Journal: International journal of clinical pharmacology and therapeutics20070801

Title: Effect of the rate of niacin administration on the plasma and urine pharmacokinetics of niacin and its metabolites.

Journal: Journal of clinical pharmacology20070601

Title: Metabolites of the radiosensitizer nicotinamide are unlikely to contribute to the degree of emesis observed with the parent drug.

Journal: Oncology research20070101

Title: Quantitative structure-activity relationships for small non-peptide antagonists of CXCR2: indirect 3D approach using the frontal polygon method.

Journal: Bioorganic & medicinal chemistry20060115

Title: Effects of excess nicotinamide administration on the urinary excretion of nicotinamide N-oxide and nicotinuric acid by rats.

Journal: Bioscience, biotechnology, and biochemistry20040101

Title: Expression of CD38 in human promyelocytic leukemia HL-60 cell line during differentiation by niacin-related compounds.

Journal: Bioscience, biotechnology, and biochemistry20030801

Title: Non-enzymatic reduction of aliphatic tertiary amine N-oxides mediated by the haem moiety of cytochrome P450.

Journal: Xenobiotica; the fate of foreign compounds in biological systems20010101

Title: Real AM, et al. Nicotinamide N-oxidation by CYP2E1 in human liver microsomes. Drug Metab Dispos. 2013 Mar;41(3):550-3.

Title: Cutshall NS, et al. Nicotinamide N-oxides as CXCR2 antagonists. Bioorg Med Chem Lett. 2001 Jul 23;11(14):1951-4.

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