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Nicotinamide ascorbate

CAT: 0013-GTR19193355-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193355-01Size:25 mg
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Description
Nicotinamide ascorbate is a bioactive small molecule compound utilized in research. It is applied in studies of cellular redox biology and energy metabolism, with relevance to both in vitro cell culture models and in vivo experimental systems.
CAS Number
1987-71-9
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@@H] (CO) (O) [C@@]1 (C (O) =C (O) C (=O) O1) [H].C (N) (=O) C=1C=CC=NC1
Molecular Formula
C12H14N2O7
Molecular Weight
298.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Niacinamide ascorbate
CAS Number1987-71-9
PubChem CID54710212
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;pyridine-3-carboxamide
Molecular FormulaC12H14N2O7
Molecular Weight298.25
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity346
SMILES
C1=CC(=CN=C1)C(=O)N.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
InChI
InChI=1S/C6H6N2O.C6H8O6/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-4H,(H2,7,9);2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKey
JMORAWFVNMGOKQ-MGMRMFRLSA-N
Chemical Structure
2D Structure
2D structure of Niacinamide ascorbate
CAS: 1987-71-9
CID: 54710212
Formula: C12H14N2O7
MW: 298.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.25
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass298.08010079
Monoisotopic Mass298.08010079
Topological Polar Surface Area163 Ų
Heavy Atom Count21
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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