Molecular Identity
Citicoline
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID: 13804
CDP-choline is a member of the class of phosphocholines that is the choline ester of CDP. It is an intermediate obtained in the biosynthetic pathway of structural phospholipids in cell membranes. It has a role as a psychotropic drug, a neuroprotective agent, a mouse metabolite, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a member of nucleotide-(amino alcohol)s and a member of phosphocholines. It is functionally related to a CDP. It is a conjugate base of a CDP-choline(1+).
2D Structure
Properties
C14H26N4O11P2
Molecular Formula
488.32
Molecular Weight
g/mol
488.1073
Exact Mass
Da
-4
XLogP
Drug-like (Lipinski: < 5)
214
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
821
Complexity
SMILES
Canonical SMILES
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)OIsomeric SMILES
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)OSynonyms(20)
citicolinecytidine 5'-diphosphocholine987-78-0CDP-cholineciticholinecytidine diphosphate cholineCiticolinaCiticolinumNicholinCDP-colinaCytidindiphosphocholinCytidine 5'-diphosphoric cholineCytidine 5'-(choline diphosphate)Cytidine 5'-(cholinyl pyrophosphate)cidifos
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Citicoline
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