Citicoline-d9 Sodium Salt

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)