chempirical

Citicoline sodium

C14H25N4NaO11P2CAS 33818-15-4510.31 g/mol

Open in Covalent MOL file
N+OPO−OOPO−OOONNHNHOHOHONa+
AlcoholEtherPhenolPhosphateQuaternary ammonium

Properties

Molecular formula
C14H25N4NaO11P2
Molar mass
510.31 g/mol
Exact mass
510.0893 Da
logP
-2.37Crippen estimate
Polar surface area
216.7 Ų
H-bond donors / acceptors
5 / 12
Rotatable bonds
10
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
33818-15-4
SMILES
C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O.[Na+]
InChIKey
GBRJGMTWFZWCCU-OCMLZEEQSA-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);/t9-,11-,12-,13-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Cytidine 5′-(trihydrogen diphosphate), P′-[2-(trimethylammonio)ethyl] ester, inner salt, sodium salt (1:1)
  • Cytidine 5′-(trihydrogen diphosphate), P′-[2-(trimethylammonio)ethyl] ester, hydroxide, inner salt, monosodium salt
  • Choline, hydroxide, monoester with cytidine 5′-(trihydrogen pyrophosphate), inner salt, monosodium salt
  • Cytidine 5′-(trihydrogen diphosphate), P′-[2-(trimethylammonio)ethyl] ester, inner salt, monosodium salt
  • IP 302 sodium
  • Cebroton
  • Brassel
  • Acticolin
  • Neurotron
  • Gerolin
  • Sinkron
  • Cidifos
  • Logan
  • Flussorex
  • CerAxon
  • Strolin

Work with Citicoline sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cytidine diphosphate choline987-78-084 % similar Trisodium cytidine 5′-diphosphate34393-59-475 % similar Cytidine-5′-triphosphate disodium salt36051-68-075 % similar Cytidine-5′-triphosphate sodium salt18423-42-270 % similar Disodium 5′-cytidylate6757-06-868 % similar Polycytidylic acid30811-80-460 % similar Cytidine monophosphate63-37-660 % similar Cytidine triphosphate65-47-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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