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Technical details about Citicoline Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Citicoline sodium, 33818-15-4, Citicoline sodium salt, Cytidine 5'-diphosphocholine sodium, Cdp-choline sodium, Citicoline, sodium
Molecular Formula
C14H25N4NaO11P2
Molecular Weight
510.31  g/mol
InChI Key
YWAFNFGRBBBSPD-KDVMHAGBSA-M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
2.1.2 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-;/m0./s1
2.1.3 InChI Key
YWAFNFGRBBBSPD-KDVMHAGBSA-M
2.1.4 Canonical SMILES
C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]
2.1.5 Isomeric 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+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Citicoline Sodium

2. 33818-15-4

3. Citicoline Sodium Salt

4. Cytidine 5'-diphosphocholine Sodium

5. Cdp-choline Sodium

6. Citicoline, Sodium

7. Cdp-choline, Sodium

8. Cytidine 5'-diphosphocholine Sodium Salt

9. Cytidine 5'-diphosphocholine Sodium Salt Dihydrate

10. Cytidine-5'-diphosphocholine Monosodium Salt

11. A821952

12. Sodium [[(2s,3r,4s,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] 2-(trimethylammonio)ethyl Phosphate;citicoline Sodium Salt

2.3 Create Date
2010-07-26
3 Chemical and Physical Properties
Molecular Weight 510.31 g/mol
Molecular Formula C14H25N4NaO11P2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass510.08927590 g/mol
Monoisotopic Mass510.08927590 g/mol
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
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