Product Code

TRC-N407768

Product Format

Neat

Molecular Formula

C11 D4 H11 N2 O8 P

Molecular Weight

338.244

Product Categories

TRC, Vitamins, Reference Materials for Smoking-Related Substances , Impurity Reference Materials , Additional Cancer Bioactive Molecules, Stable isotopes, Additional Neuro Products, Stress and Anxiety, Stable isotopes, Stable Isotope Labelled Analytical Standards, Neurology Research Chemicals and Analytical Standards, Cancer Research Chemicals and Analytical Standards

Product Type

Impurity, Stable Isotope Labelled, Synthesis Tools

Unlabelled CAS Number

1094-61-7

Purity

>95% (HPLC)

Analytical Method

MS, HPLC, NMR

Price and availability

48-hour USA dispatch time

Freight restricted.

If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

Beta-Nicotinamide-d4 Mononucleotide (d4-major)

Molecular Formula

C11 D4 H11 N2 O8 P

Molecular Weight

338.244

Accurate Mass

338.0817

SMILES

[2H]c1c([2H])c(C(=O)N)c([2H])[n+]([C@@H]2O[C@H](COP(=O)(O)[O-])[C@@H](O)[C@H]2O)c1[2H]

InChI

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1/i1D,2D,3D,4D

IUPAC

[(2R,3S,4R,5R)-5-(3-carbamoyl-2,4,5,6-tetradeuterio-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

Unlabelled CAS Number

1094-61-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

Impurity Type

Intermediate

Purity

>95% (HPLC)

Analytical Method

MS, HPLC, NMR

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Beta-Nicotinamide-d4 Mononucleotide (d4-major)

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