Citicoline sodiumProduct ingredient for Citicoline
- Name
- Citicoline sodium
- Drug Entry
- Citicoline
Citicoline is a donor of choline in biosynthesis of choline-containing phosphoglycerides. It has been investigated for the treatment, supportive care, and diagnosis of Mania, Stroke, Hypomania, Cocaine Abuse, and Bipolar Disorder, among others.
- Accession Number
- DBSALT002146
- Structure
Structure for Citicoline sodium (DBSALT002146)
- Synonyms
- Not Available
- UNII
- 7XQ5AKD9YD
- CAS Number
- 33818-15-4
- Weight
- Average: 510.308
Monoisotopic: 510.08927592 - Chemical Formula
- C14H25N4NaO11P2
- InChI Key
- YWAFNFGRBBBSPD-OCMLZEEQSA-M
- 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 Name
- sodium 2-(trimethylazaniumyl)ethyl ({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)phosphonate
- SMILES
- [Na+].C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
- External Links
- ChemSpider
- 33635
- ChEMBL
- CHEMBL1256994
- Predicted Properties
Property Value Source Water Solubility 8.94 mg/mL ALOGPS logP -1.5 ALOGPS logP -7.1 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 1.84 Chemaxon pKa (Strongest Basic) -2.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 216.33 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 112.46 m3·mol-1 Chemaxon Polarizability 42.02 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon