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Product Overview

Product Code

TRC-C508052

Product Format

Neat

Molecular Formula

C14 D9 H16 N4 Na O11 P2

Molecular Weight

519.361

Product Categories

Additional Neuro Products, TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

33818-15-4 salt

Documentation

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Product Information

Chemical Data

Analyte Name

Citicoline-d9 Sodium Salt

Molecular Formula

C14 D9 H16 N4 Na O11 P2

Molecular Weight

519.361

Accurate Mass

519.146

SMILES

[2H]C([2H])([2H])[N+](CCOP(=O)(O[Na])OP(=O)([O-])OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C14H26N4O11P2.Na/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21;/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25);/q;+1/p-1/t9-,11-,12-,13-;/m1./s1/i1D3,2D3,3D3;

IUPAC

[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[2-[tris(trideuteriomethyl)azaniumyl]ethoxy]phosphoryl]oxysodium

Unlabelled CAS Number

33818-15-4 salt

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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