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Citicoline sodium

CAT: 0013-GTR19176634-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176634-01Size:50 mg
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Description
Citicoline sodium (CDP-choline) is an endogenous compound that functions as a key intermediate in phosphatidylcholine biosynthesis and a choline donor for acetylcholine. It exhibits neuroprotective properties in models of cerebral ischemia and brain injury, where it modulates phospholipid metabolism and attenuates harmful lipid signaling. Research applications include in vivo studies on neuroprotection and in vitro investigations of cellular metabolism.
CAS Number
33818-15-4
Product Name Alternative
Inhibit, Inhibitor, EndogenousMetabolite, Apoptosis, CDP-choline, Citicoline, Citicoline sodium, Citicoline sodium salt, Endogenous Metabolite, Cytidine diphosphate-choline, Cytidine 5'-diphosphocholine, phosphatidylcholine
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
98.00% (May vary between batches)
Solubility
H2O:200 mg/mL (391.92 mM)
Smiles
[C@@H]1 (n2c (=O) nc (cc2) N) O[C@@H] ([C@H] ([C@H]1O) O) COP (=O) (OP (=O) (OCC[N+] (C) (C) C) [O-]) [O-].[Na+]
Molecular Formula
C14H25N4NaO11P2
Molecular Weight
510.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Citicoline Sodium

See also: Citicoline (has active moiety).

CAS Number33818-15-4
PubChem CID36605
IUPAC Namesodium [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC14H25N4NaO11P2
Molecular Weight510.31
Topological Polar Surface Area216
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity813
SMILES
C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O.[Na+]
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
InChIKey
YWAFNFGRBBBSPD-OCMLZEEQSA-M
Chemical Structure
2D Structure
2D structure of Citicoline Sodium
CAS: 33818-15-4
CID: 36605
Formula: C14H25N4NaO11P2
MW: 510.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass510.08927590
Monoisotopic Mass510.08927590
Topological Polar Surface Area216 Ų
Heavy Atom Count32
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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