Citicoline Sodium Salt (CDP-Choline)

Analytenname

Citicoline sodium

CAS-Nummer

33818-15-4

Molekularformel

C14 H25 N4 O11 P2 . Na

Molekulargewicht

510.31

Genaue Masse

510.0893

SMILES

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

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

IUPAC

sodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate

Abweichende CAS-Nummer

Free acid: 987-78-0

Herkunftsland

CANADA