Citicoline

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  • Identifiers

    CAS number
    987-78-0

    Molecular formula
    C14H26N4O11P2

    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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 77.83%
    Cooling 22.44%
    Savory 18.44%
    Milky 16.65%
    Bitter 16.46%
    Clean 15.39%
    Sweet 14.97%
    Mint 14.73%
    Cooked 13.7%
    Grape 13.56%

     

    Flavor
    Bitter 51.15%
    Odorless 48.89%
    Bland 35.08%
    Mild 28.81%
    Sweet-like 21.81%
    Yeast 19.96%
    Very mild 19.77%
    Cedarleaf 19.16%
    Stinky 18.81%
    Scallion 18.79%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -4.0

    pKa est.
    5.35 (weak acid)

    Molecular weight
    488.32 g/mol

    Flash point

    • 55.65 ˚C est.

  • Synonyms

    • citicoline
    • cytidine 5'-diphosphocholine
    • 987-78-0
    • CDP-choline
    • citicholine
    • cytidine diphosphate choline
    • Citicolina
    • Citicolinum
    • Nicholin
    • CDP-colina
    • Cytidindiphosphocholin
    • Cytidine 5'-diphosphoric choline
    • Cytidine 5'-(choline diphosphate)
    • CDP-cholin
    • Cytidine 5'-(cholinyl pyrophosphate)
    • cidifos
    • citidin difosfato de colina
    • Cytidine 5-diphosphocholine
    • Cytidine 5'-diphosphate choline
    • CDP choline
    • DTXSID9048431
    • Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester, inner salt
    • 536BQ2JVC7
    • CHEBI:16436
    • IP 302
    • IP-302
    • {2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]ethyl}trimethylazanium
    • Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester, hydroxide, inner salt
    • Choline, CDP
    • NSC-122002
    • Cytidine 5' Diphosphocholine
    • Choline, Cytidine Diphosphate
    • Diphosphate Choline, Cytidine
    • 5'-Diphosphocholine, Cytidine
    • Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl] ester, inner salt
    • (2-(((((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl phosphonato)oxy)ethyl)trimethylazanium
    • RefChem:577442
    • DTXCID801764421
    • P'-(2-(Trimethylammonio)ethyl) cytidine 5'-(monohydrogen diphosphate)
    • (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-oxidophosphoryl) 2-(trimethylazaniumyl)ethyl phosphate;hydron
    • 213-580-7
    • ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-(2-(trimethylazaniumyl)ethoxy)phosphoryl) phosphate
    • Citidoline
    • Cyscholin
    • Cytidoline
    • Difosfocin
    • Recognan
    • Colite
    • cyticholine
    • Haocolin
    • Niticolin
    • Recofnan
    • Somazina
    • Suncholin
    • Ensign
    • Cytidine diphosphocholine
    • Cytidine diphosphorylcholine
    • Choline cytidine diphosphate
    • Cytidine choline diphosphate
    • Emicholin
    • Meibis
    • Cereb
    • Choline 5'-cytidine diphosphate
    • MFCD00868097
    • Cytidine diphosphate choline ester
    • Cytidinediphosphoric choline
    • Choline cytidine 5'-pyrophosphate ester
    • [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
    • 2-(((((((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-N,N,N-trimethylethanaminium
    • [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
    • Choline, ester with cytidine 5'-pyrophosphate
    • CDP-cholin [German]
    • CDP-colina [Spanish]
    • Startonyl
    • Ubelin
    • Citicoline [INN:JAN]
    • Citicolinum [INN-Latin]
    • Citicolina [INN-Spanish]
    • Cytidindiphosphocholin [German]
    • Cytidine diphosphate cholin ester
    • EINECS 213-580-7
    • Citidin difosfato de colina [Spanish]
    • NSC 122002
    • BRN 4170138
    • UNII-536BQ2JVC7
    • Citicoline Base
    • Citicoline RS
    • Cytidine, 5'-pyrophosphate, ester with choline
    • RZZPDXZPRHQOCG-OJAKKHQRSA-N
    • Nicholin (TN)
    • Citicoline (JP18/INN)
    • CDP-choline (neutral charge)
    • SCHEMBL221081
    • orb1310903
    • GLXC-06711
    • EBC-27219
    • MSK165911
    • AKOS025312525
    • CCG-269597
    • DB04290
    • DB12153
    • FC63074
    • Choline, hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt
    • DA-62349
    • C3438
    • C00307
    • D00057
    • D81851
    • EN300-7398882
    • Q28529682
    • Cytidine diphosphate-choline;CDP-Choline;Cytidine 5'-diphosphocholine
    • 5'-O-[(S)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine
    • 5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine
    • 987-78-0

  • Applications

    Citicoline (CDP-choline, CAS 987-78-0) is used primarily in pharmaceuticals as an active ingredient or choline source, and in some markets as a dietary supplement. It serves as a choline donor and a precursor for phosphatidylcholine in cellular phospholipid biosynthesis, supporting formulation of drug products and nutraceuticals. It is commonly regarded as an intermediate precursor in phospholipid synthesis and is evaluated for use in lipid biochemistry and related research. Use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.56
    methanol 3.52
    isopropanol 0.18
    water 25.73
    ethyl acetate 0.08
    n-propanol 0.37
    acetone 0.44
    n-butanol 0.2
    acetonitrile 0.51
    DMF 9.72
    toluene 0.04
    isobutanol 0.15
    1,4-dioxane 0.2
    methyl acetate 0.24
    THF 0.59
    2-butanone 0.27
    n-pentanol 0.11
    sec-butanol 0.14
    n-hexane 0.01
    ethylene glycol 5.12
    NMP 21.85
    cyclohexane 0.02
    DMSO 11.36
    n-butyl acetate 0.15
    n-octanol 0.05
    chloroform 0.91
    n-propyl acetate 0.09
    acetic acid 9.2
    dichloromethane 0.85
    cyclohexanone 0.54
    propylene glycol 3.33
    isopropyl acetate 0.05
    DMAc 8.08
    2-ethoxyethanol 1.12
    isopentanol 0.1
    n-heptane 0.01
    ethyl formate 0.64
    1,2-dichloroethane 0.35
    n-hexanol 0.13
    2-methoxyethanol 4.74
    isobutyl acetate 0.05
    tetrachloromethane 0.19
    n-pentyl acetate 0.09
    transcutol 0.85
    n-heptanol 0.14
    ethylbenzene 0.02
    MIBK 0.08
    2-propoxyethanol 1.66
    tert-butanol 0.13
    MTBE 0.02
    2-butoxyethanol 0.97
    propionic acid 1.5
    o-xylene 0.04
    formic acid 90.34
    diethyl ether 0.04
    m-xylene 0.03
    p-xylene 0.03
    chlorobenzene 0.06
    dimethyl carbonate 0.62
    n-octane 0.01
    formamide 53.47
    cyclopentanone 1.38
    2-pentanone 0.15
    anisole 0.05
    cyclopentyl methyl ether 0.14
    gamma-butyrolactone 2.97
    1-methoxy-2-propanol 1.52
    pyridine 0.54
    3-pentanone 0.15
    furfural 4.86
    n-dodecane 0.0
    diethylene glycol 4.82
    diisopropyl ether 0.01
    tert-amyl alcohol 0.12
    acetylacetone 0.28
    n-hexadecane 0.0
    acetophenone 0.18
    methyl propionate 0.27
    isopentyl acetate 0.1
    trichloroethylene 1.14
    n-nonanol 0.05
    cyclohexanol 0.15
    benzyl alcohol 0.19
    2-ethylhexanol 0.06
    isooctanol 0.07
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.1
    ethyl lactate 0.63
    propylene carbonate 1.23
    n-methylformamide 9.74
    2-pentanol 0.07
    n-pentane 0.01
    1-propoxy-2-propanol 0.77
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 0.65
    mesitylene 0.02
    ε-caprolactone 0.55
    p-cymene 0.04
    epichlorohydrin 1.22
    1,1,1-trichloroethane 0.19
    2-aminoethanol 3.97
    morpholine-4-carbaldehyde 5.44
    sulfolane 11.01
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.15
    n-hexyl acetate 0.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.72
    sec-butyl acetate 0.04
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 16.37
    diglyme 1.18
    acrylic acid 4.51
    isopropyl myristate 0.02
    n-butyric acid 0.78
    acetyl acetate 0.14
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.08
    nitromethane 10.55
    1,2-diethoxyethane 0.07
    benzonitrile 0.21
    trioctyl phosphate 0.1
    1-bromopropane 0.07
    gamma-valerolactone 3.3
    n-decanol 0.04
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.04
    propionitrile 0.31
    vinylene carbonate 1.46
    1,1,2-trichlorotrifluoroethane 12.11
    DMS 0.19
    cumene 0.02
    2-octanol 0.05
    2-hexanone 0.1
    octyl acetate 0.04
    limonene 0.04
    1,2-dimethoxyethane 0.73
    ethyl orthosilicate 0.13
    tributyl phosphate 0.11
    diacetone alcohol 0.42
    N,N-dimethylaniline 0.09
    acrylonitrile 0.94
    aniline 0.15
    1,3-propanediol 2.15
    bromobenzene 0.04
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 0.96
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.26
    diisobutyl methanol 0.03
    2-phenylethanol 0.21
    styrene 0.02
    dioctyl adipate 0.06
    dimethyl sulfate 2.74
    ethyl butyrate 0.12
    methyl lactate 2.3
    butyl lactate 0.5
    diethyl carbonate 0.12
    propanediol butyl ether 1.04
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.32
    morpholine 0.5
    tert-butylamine 0.04
    n-dodecanol 0.03
    dimethoxymethane 1.17
    ethylene carbonate 0.7
    cyrene 2.76
    2-ethoxyethyl acetate 0.16
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.19
    4-methylpyridine 0.24
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.57
    dimethyl isosorbide 1.44
    tetrachloroethylene 0.77
    eugenol 0.61
    triacetin 0.24
    span 80 0.5
    1,4-butanediol 0.74
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.06
    methyl formate 6.2
    2-methyl-1-butanol 0.12
    n-decane 0.01
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.36
    tetrahydropyran 0.1
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 0.9
    1-hexene 0.01
    2-isopropoxyethanol 0.29
    2,2,2-trifluoroethanol 11.15
    methyl butyrate 0.17

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction