ChemicalBook--->CAS DataBase List--->1986-81-8

1986-81-8

1986-81-8 Structure

1986-81-8 Structure
IdentificationMore
[Name]

Nicotinamide-N-oxide
[CAS]

1986-81-8
[Synonyms]

1-OXY-NICOTINAMIDE
3-(AMINOCARBONYL)PYRIDINIUM-1-OLATE
AKOS 94294
NICOTINAMIDE 1-OXIDE
NICOTINAMIDE N-OXIDE
TIMTEC-BB SBB004187
3-Pyridinecarboxamide, 1-oxide
3-Pyridinecarboxamide,1-oxide(9CI)
1-Oxidopyridin-1-ium-3-carboxamide
Nicotinamide-N-oxide ,98%
3-Carbamoylpyridine 1-oxide
3-Pyridinecarbamide 1-oxide
[EINECS(EC#)]

217-859-4
[Molecular Formula]

C6H6N2O2
[MDL Number]

MFCD00006202
[Molecular Weight]

138.12
[MOL File]

1986-81-8.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY YELLOW FLUFFY CRYST. NEEDLES
[Melting point ]

291-293 °C (dec.)(lit.)
[Boiling point ]

253.51°C (rough estimate)
[density ]

1.3471 (rough estimate)
[refractive index ]

1.5100 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

14.38±0.50(Predicted)
[color ]

White to Off-White
[Sensitive ]

Hygroscopic
[Detection Methods]

HPLC,NMR
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
[InChIKey]

USSFUVKEHXDAPM-UHFFFAOYSA-N
[SMILES]

NC(=O)c1ccc[n+]([O-])c1
[CAS DataBase Reference]

1986-81-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Hydrogen peroxide-->Nicotinamide
[Preparation Products]

Forchlorfenuron-->2-Aminonicotinic acid-->2-Chloronicotinamide-->2-chloro-5-cyanopyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(Aminocarbonyl)pyridinium-1-olate(1986-81-8).msds
Hazard InformationBack Directory
[Description]

Nicotinamide N-oxide is a metabolite of nicotinamide (Item No. 11127). It is formed via oxidation of nicotinamide by the cytochrome P450 (CYP) isoform CYP2E1. Nicotinamide N-oxide (30 mM) inhibits proliferation and induces reduction of nitroblue tetrazolium (NBT; Item No. 17341), indicating cell differentiation, in HL-60 promyelocytic leukemia cells. Urine levels of nicotinamide N-oxide are elevated in a mouse model of high-fat diet-induced obesity.
[Chemical Properties]

WHITE TO SLIGHTLY YELLOW FLUFFY CRYST. NEEDLES
[Uses]

A metabolite of Nicotinamide
[Uses]

A metabolite of Nicotinamide.
[Definition]

ChEBI: Nicotinamide N-oxide is a member of pyridines.
[References]

[1] ALEXANDER MICHAEL REAL P P Shangyu Hong. Nicotinamide N-oxidation by CYP2E1 in human liver microsomes.[J]. Drug Metabolism and Disposition, 2013, 41 3: 550-553. DOI: 10.1124/dmd.112.049734
[2] KEIKO IWATA. Induction of differentiation in human promyelocytic leukemia HL-60 cell line by niacin-related compounds.[J]. Bioscience, Biotechnology, and Biochemistry, 2003, 67 5: 1132-1135. DOI: 10.1271/bbb.67.1132
[3] JEE-YOUN JUNG. 1H NMR-based metabolite profiling of diet-induced obesity in a mouse mode.[J]. BMB Reports, 2012, 45 7: 419-424. DOI: 10.5483/bmbrep.2012.45.7.248
Spectrum DetailBack Directory
[Spectrum Detail]

Nicotinamide-N-oxide(1986-81-8)MS
Nicotinamide-N-oxide(1986-81-8)1HNMR
Nicotinamide-N-oxide(1986-81-8)13CNMR
Nicotinamide-N-oxide(1986-81-8)IR1
Nicotinamide-N-oxide(1986-81-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Nicotinamide-N-oxide, 98%(1986-81-8)
[Sigma Aldrich]

1986-81-8(sigmaaldrich)
[TCI AMERICA]

Nicotinamide N-Oxide,>98.0%(T)(1986-81-8)
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