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Nicotinamide N-Oxide - 98%, high purity , CAS No.1986-81-8

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Nicotinamide N-Oxide - 98%, high purity , CAS No.1986-81-8

COA

Grade & Purity:

≥98%

Cas Number: 1986-81-8
Molecular Weight: 138.12
EC Number: 217-859-4
MDL number: MFCD00006202
PubChem CID: 72661
PubChem SID: 504754660

In stock

Item Number

N123035

Grouped product items
SKU	Size	Availability	Price
N123035-5g	5g	3	$41.90
N123035-25g	25g	2	$127.90
N123035-100g	100g	3	$458.90

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Class A GPCR (4138) CXCR (81) Drug Metabolite (241) Glucose Metabolism (1943) GPCR/G Protein (3172) Halogen free heterocyclic block (1207) Immunology/Inflammation (1929) Metabolic Enzyme/Protease (4860) Metabolite (5307) Pyridines (1259)

Basic Description

Synonyms	3-Pyridinecarboxamide, 1-oxide \| Nicotinamide N-oxide \| InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) \| Nicotinamide N1-oxide \| 1-oxido-pyridin-1-ium-3-carboxamide \| 1-oxide-nicotinamide \| J-512155 \| AKOS000282814 \| nicotinamide-n-oxide \| USSFUV
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Nicotinamide N-oxide is a niacin-related compound used in studies of mechanisms of niacin-related granulocyte differentiation of cells such as human promyelocytic leukemia cells (HL-60). Nicotinamide N-oxide reduced expression of c-myc in HL-60 cell line.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxamides
        Level6 Nicotinamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Pyridinecarboxamides
Direct Parent	Nicotinamides
Alternative Parents	Heteroaromatic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nicotinamide - Heteroaromatic compound - Azacycle - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors	a small molecule
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MTARC1 Tbio Mitochondrial amidoxime-reducing component 1 (51 Activities)

Discover Target: MTARC1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754660
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754660
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)
InChIKey	USSFUVKEHXDAPM-UHFFFAOYSA-N
Smiles	C1=CC(=C[N+](=C1)[O-])C(=O)N
Isomeric SMILES	C1=CC(=C[N+](=C1)[O-])C(=O)N
WGK Germany	3
Molecular Weight	138.12
Reaxy-Rn	115925
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115925&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K1318020	Certificate of Analysis	Jul 09, 2025	N123035
B2219319	Certificate of Analysis	Jan 20, 2022	N123035
B2219357	Certificate of Analysis	Jan 20, 2022	N123035
B2219289	Certificate of Analysis	Jan 20, 2022	N123035

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	291-293°C
Molecular Weight	138.120 g/mol
XLogP3	-1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.043 Da
Monoisotopic Mass	138.043 Da
Topological Polar Surface Area	68.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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