Cytidine diphosphate choline

C14H26N4O11P2CAS 987-78-0488.33 g/mol

Open in Covalent MOL file
N+OPOOHOPOO−OONNHNHOHOHO
AlcoholEtherPhenolPhosphateQuaternary ammonium

Properties

Molecular formula
C14H26N4O11P2
Molar mass
488.33 g/mol
Exact mass
488.1073 Da
logP
-1.99Crippen estimate
Polar surface area
216.7 Ų
H-bond donors / acceptors
5 / 12
Rotatable bonds
10
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
987-78-0
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
InChIKey
RZZPDXZPRHQOCG-OJAKKHQRSA-N
InChI
InChI=1S/C14H26N4O11P2/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

43 names · show all
  • Cytidine 5′-(trihydrogen diphosphate), P′-[2-(trimethylammonio)ethyl] ester, inner salt
  • Cytidine 5′-(trihydrogen diphosphate), P′-[2-(trimethylammonio)ethyl] ester, hydroxide, inner salt
  • Choline, hydroxide, 5′-ester with cytidine 5′-(trihydrogen pyrophosphate), inner salt
  • Cytidine 5′-diphosphate choline
  • Citicoline
  • Cytidine diphosphate choline ester
  • Nicholin
  • Niticolin
  • Cereb
  • Colite
  • Nicolin
  • Recofnan
  • Ensign
  • Suncholin
  • CDP-choline
  • Cytidine diphosphorylcholine
  • Cytidine diphosphocholine
  • Cytidine 5′-diphosphocholine
  • Cytidine 5′-(cholinyl pyrophosphate)
  • Cytidine choline diphosphate
  • Cytidine 5′-(choline diphosphate)
  • Choline 5′-cytidine diphosphate
  • Recognan
  • Choline cytidine diphosphate
  • Citicholine
  • Cytidoline
  • Citidoline
  • Somazina
  • Somazine
  • Reagin
  • Neucolis
  • Difosfocin
  • Sintoclar
  • Haocolin
  • Corenalin
  • Audes
  • Rexort
  • Citifar
  • Hornbest
  • Cyscholin
  • Emicholine F
  • NSC 122002
  • Cognizin

Work with Cytidine diphosphate choline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Citicoline sodium33818-15-4Salt

Similar compounds

Cytidine-5′-triphosphate sodium salt18423-42-272 % similar Trisodium cytidine 5′-diphosphate34393-59-467 % similar Cytidine-5′-triphosphate disodium salt36051-68-067 % similar 5′-CTP65-47-464 % similar Polycytidylic acid30811-80-461 % similar Cytidine monophosphate63-37-661 % similar Disodium 5′-cytidylate6757-06-860 % similar Poly(I:C)24939-03-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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