Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-, chloride (1:1)

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  • Identifiers

    CAS number
    23111-00-4

    Molecular formula
    C11H15ClN2O5

    SMILES
    C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.3%
    Sweet 29.52%
    Savory 26.7%
    Bitter 23.13%
    Milky 21.35%
    Caramellic 19.74%
    Vanilla 19.58%
    Burnt 17.5%
    Cooked 17.41%
    Meaty 16.92%

     

    Flavor
    Bitter 71.71%
    Odorless 45.98%
    Bland 26.34%
    Sweet-like 25.45%
    Mild 22.77%
    Very mild 22.53%
    Orange flower 19.71%
    Nitrile 19.54%
    Cedarleaf 19.47%
    Yeast 19.32%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.81 (weak acid)

    Molecular weight
    290.7 g/mol

    Flash point

    • 245.4 ˚C est.

  • Synonyms

    • Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-, chloride (1:1)
    • RefChem:870857
    • 807-820-5
    • 23111-00-4
    • Nicotinamide riboside chloride
    • 3-Carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride
    • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride
    • MFCD27952781
    • 8XM2XT8VWI
    • Nicotinamide riboside (chloride)
    • Niagen; N-Ribosylnicotinamide Chloride; 3-Carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium Chloride
    • ss-Nicotinamide riboside
    • UNII-8XM2XT8VWI
    • Nicotinamide Impurity 10
    • SRT647;NIAGEN
    • Nicotinamide Riboside Chloride?
    • orb1300967
    • SCHEMBL17315043
    • CHEBI:229274
    • DTXSID001355428
    • MSK160838
    • AKOS040758978
    • HY-123033A
    • Nicotinamide riboside chloride [WHO-DD]
    • AC-29830
    • SY225983
    • WS-00064
    • DB-210155
    • CS-0098615
    • F20758
    • Nicotinamide B-D Riboside Chloride(WX900111)
    • EH-301 COMPONENT NICOTINAMIDE RIBOSIDE CHLORIDE
    • Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, chloride
    • Pyridinium, 3-(aminocarbonyl)-1--D-ribofuranosyl-, chloride (1:1)
    • Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-, chloride
    • PYRIDINIUM, 3-CARBAMOYL-1-.BETA.-D-RIBOFURANOSYL-, CHLORIDE
    • PYRIDINIUM, 3-(AMINOCARBONYL)-1-.BETA.-D-RIBOFURANOSYL-, CHLORIDE
    • 3-Carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-iumchloride
    • 3-Carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium chloride
    • 3-Carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-pyridinium Chloride
    • 23111-00-4

  • Applications

    Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-, chloride (1:1) (CAS 23111-00-4) is primarily used as an intermediate in pharmaceutical synthesis and as a building block for nucleoside/nucleotide derivatives. In biochemical and medicinal chemistry research, it serves as a substrate or reagent in glycosylation reactions and in studies of nucleoside analogs. It also functions as a glycosyl donor in organic synthesis and is employed as a general research reagent for nucleoside chemistry, method development, and analytical studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.54
    methanol 3.63
    isopropanol 0.22
    water 184.1
    ethyl acetate 0.1
    n-propanol 0.3
    acetone 0.15
    n-butanol 0.27
    acetonitrile 0.2
    DMF 39.01
    toluene 0.2
    isobutanol 0.17
    1,4-dioxane 0.61
    methyl acetate 0.08
    THF 1.07
    2-butanone 0.15
    n-pentanol 0.16
    sec-butanol 0.22
    n-hexane 0.04
    ethylene glycol 11.81
    NMP 65.3
    cyclohexane 0.15
    DMSO 74.68
    n-butyl acetate 0.16
    n-octanol 0.17
    chloroform 0.08
    n-propyl acetate 0.1
    acetic acid 17.1
    dichloromethane 0.09
    cyclohexanone 1.26
    propylene glycol 6.14
    isopropyl acetate 0.11
    DMAc 32.31
    2-ethoxyethanol 4.22
    isopentanol 0.26
    n-heptane 0.13
    ethyl formate 0.35
    1,2-dichloroethane 0.09
    n-hexanol 0.39
    2-methoxyethanol 13.99
    isobutyl acetate 0.06
    tetrachloromethane 0.09
    n-pentyl acetate 0.15
    transcutol 4.84
    n-heptanol 0.47
    ethylbenzene 0.1
    MIBK 0.23
    2-propoxyethanol 3.61
    tert-butanol 0.35
    MTBE 0.07
    2-butoxyethanol 2.28
    propionic acid 1.13
    o-xylene 0.3
    formic acid 398.03
    diethyl ether 0.1
    m-xylene 0.26
    p-xylene 0.13
    chlorobenzene 0.07
    dimethyl carbonate 0.85
    n-octane 0.06
    formamide 206.94
    cyclopentanone 1.66
    2-pentanone 0.18
    anisole 0.19
    cyclopentyl methyl ether 0.75
    gamma-butyrolactone 2.97
    1-methoxy-2-propanol 5.56
    pyridine 0.96
    3-pentanone 0.21
    furfural 8.41
    n-dodecane 0.02
    diethylene glycol 15.4
    diisopropyl ether 0.07
    tert-amyl alcohol 0.35
    acetylacetone 0.56
    n-hexadecane 0.03
    acetophenone 0.57
    methyl propionate 0.31
    isopentyl acetate 0.2
    trichloroethylene 0.24
    n-nonanol 0.21
    cyclohexanol 0.87
    benzyl alcohol 0.68
    2-ethylhexanol 0.29
    isooctanol 0.34
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.12
    ethyl lactate 1.21
    propylene carbonate 1.42
    n-methylformamide 13.3
    2-pentanol 0.19
    n-pentane 0.05
    1-propoxy-2-propanol 2.03
    1-methoxy-2-propyl acetate 0.87
    2-(2-methoxypropoxy) propanol 2.56
    mesitylene 0.22
    ε-caprolactone 1.35
    p-cymene 0.22
    epichlorohydrin 0.85
    1,1,1-trichloroethane 0.05
    2-aminoethanol 8.11
    morpholine-4-carbaldehyde 26.79
    sulfolane 22.6
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 0.39
    n-hexyl acetate 0.16
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 2.95
    sec-butyl acetate 0.07
    tert-butyl acetate 0.22
    decalin 0.04
    glycerin 54.76
    diglyme 5.38
    acrylic acid 4.09
    isopropyl myristate 0.11
    n-butyric acid 1.12
    acetyl acetate 0.21
    di(2-ethylhexyl) phthalate 0.37
    ethyl propionate 0.14
    nitromethane 8.24
    1,2-diethoxyethane 0.27
    benzonitrile 0.33
    trioctyl phosphate 0.29
    1-bromopropane 0.05
    gamma-valerolactone 7.84
    n-decanol 0.17
    triethyl phosphate 0.48
    4-methyl-2-pentanol 0.18
    propionitrile 0.14
    vinylene carbonate 1.47
    1,1,2-trichlorotrifluoroethane 13.73
    DMS 0.31
    cumene 0.1
    2-octanol 0.19
    2-hexanone 0.11
    octyl acetate 0.16
    limonene 0.31
    1,2-dimethoxyethane 2.12
    ethyl orthosilicate 0.42
    tributyl phosphate 0.27
    diacetone alcohol 1.74
    N,N-dimethylaniline 0.45
    acrylonitrile 0.42
    aniline 0.59
    1,3-propanediol 5.62
    bromobenzene 0.06
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.26
    2-methyl-cyclohexyl acetate 0.4
    tetrabutyl urea 0.66
    diisobutyl methanol 0.25
    2-phenylethanol 0.79
    styrene 0.08
    dioctyl adipate 0.24
    dimethyl sulfate 5.11
    ethyl butyrate 0.25
    methyl lactate 4.69
    butyl lactate 0.83
    diethyl carbonate 0.2
    propanediol butyl ether 2.59
    triethyl orthoformate 0.42
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 1.29
    morpholine 1.54
    tert-butylamine 0.15
    n-dodecanol 0.14
    dimethoxymethane 3.0
    ethylene carbonate 0.8
    cyrene 8.62
    2-ethoxyethyl acetate 0.3
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 0.6
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.25
    DEF 1.94
    dimethyl isosorbide 4.58
    tetrachloroethylene 0.41
    eugenol 1.9
    triacetin 0.63
    span 80 2.14
    1,4-butanediol 2.01
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.17
    methyl formate 5.19
    2-methyl-1-butanol 0.24
    n-decane 0.05
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.06
    1-chlorotetradecane 0.03
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.09
    cyclopentanol 0.89
    tetrahydropyran 0.33
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 4.92
    1-hexene 0.06
    2-isopropoxyethanol 1.29
    2,2,2-trifluoroethanol 15.12
    methyl butyrate 0.24

    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