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Niacin-13C6

CAT: 0804-HY-B0143S3Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0143S3Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Niacin-13C6 is the 13C-labeled Niacin. Niacin (Nicotinic acid) is a vitamin and is part of the vitamin B group.
CAS Number
1189954-79-7
Product Name Alternative
Nicotinic acid-13C6; Vitamin B3-13C6
UNSPSC
12352005
Hazard Statement
H319
Target
Autophagy; Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/niacin-13c6.html
Purity
99.90
Solubility
DMSO : 50mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 10mg/mL (ultrasonic)
Smiles
O=[13C]([13C]1=[13CH][13CH]=[13CH]N=[13CH]1)O
Molecular Formula
13C6H5NO2
Molecular Weight
129.07
Precautions
H319
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Bruckert E, et al. Meta-analysis of the effect of nicotinic acid alone or in combination on cardiovascular events and atherosclerosis. Atherosclerosis. 2010 Jun;210 (2) :353-61.|[3]Wan P, et al. Pellagra: a review with emphasis on photosensitivity. Br J Dermatol. 2011 Jun;164 (6) :1188-200.|[4]Ishii N, et al. Pellagra among chronic alcoholics: clinical and pathological study of 20 necropsy cases. J Neurol Neurosurg Psychiatry. 1981 Mar;44 (3) :209-15.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(~13~C_5_)Pyridine-3-(~13~C)carboxylic acid
CAS Number1189954-79-7
PubChem CID45040022
IUPAC Name(2,3,4,5,6-13C5)pyridine-3-carboxylic acid
Molecular FormulaC6H5NO2
Molecular Weight129.066
XLogP0.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
[13CH]1=[13CH][13C](=[13CH]N=[13CH]1)[13C](=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
PVNIIMVLHYAWGP-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_5_)Pyridine-3-(~13~C)carboxylic acid
CAS: 1189954-79-7
CID: 45040022
Formula: C6H5NO2
MW: 129.066
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.066
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass129.05215741
Monoisotopic Mass129.05215741
Topological Polar Surface Area50.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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