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Pyridoxine-d2

CAT: 0804-HY-B1328S2Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-B1328S2Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyridoxine-d2 (Pyridoxol-d2) is deuterium labeled Pyridoxine. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
CAS Number
5027-84-9
Product Name Alternative
Pyridoxol-d2
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds; Keap1-Nrf2
Related Pathways
Metabolic Enzyme/Protease; NF-κB; Others
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease; Cancer
Smiles
OCC1=C(O)C(C)=NC=C1C([2H])([2H])O
Molecular Formula
C8H9D2NO3
Molecular Weight
171.19
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Li C, et al. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Cell Mol Biol (Noisy-le-grand) . 2018 Jul 30;64 (10) :119-124.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

CID 15556370
CAS Number5027-84-9
PubChem CID15556370
IUPAC Name5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
Molecular FormulaC8H11NO3
Molecular Weight171.19
XLogP-0.8
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
[2H]C([2H])(C1=CN=C(C(=C1CO)O)C)O
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3/i3D2
InChIKey
LXNHXLLTXMVWPM-SMZGMGDZSA-N
Chemical Structure
2D Structure
2D structure of CID 15556370
CAS: 5027-84-9
CID: 15556370
Formula: C8H11NO3
MW: 171.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.19
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass171.086446705
Monoisotopic Mass171.086446705
Topological Polar Surface Area73.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
Isotope Atom Count2
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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