Nadide

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  • Identifiers

    CAS number
    53-84-9

    Molecular formula
    C21H27N7O14P2

    SMILES
    C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 86.36%
    Savory 21.31%
    Bitter 18.04%
    Cooling 18.04%
    Milky 17.41%
    Sweet 16.68%
    Cooked 15.9%
    Clean 15.07%
    Alcoholic 12.83%
    Meaty 11.87%

     

    Flavor
    Bitter 68.5%
    Odorless 56.0%
    Bland 35.83%
    Very mild 26.15%
    Sweet-like 24.86%
    Mild 23.87%
    Yeast 20.31%
    Nitrile 19.35%
    Cedarleaf 19.0%
    Scallion 18.64%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -6.0

    pKa est.
    5.21 (weak acid)

    Molecular weight
    663.4 g/mol

    Melting point expt.

    • 140.0 - 142.0 °C

    Flash point

    • 438.03 ˚C est.

    Solubility expt.

    • 752.5 mg/mL

  • Synonyms

    • nadide
    • 53-84-9
    • coenzyme I
    • beta-NAD
    • Codehydrogenase I
    • Codehydrase I
    • diphosphopyridine nucleotide
    • nicotinamide adenine dinucleotide
    • beta-Diphosphopyridine nucleotide
    • Cozymase I
    • Enzopride
    • COZYMASE
    • Nadidum
    • Nicotinamide-adenine dinucleotide
    • codehydrogenase
    • Nadida
    • Pyridine, nucleotide diphosphate
    • Adenine-nicotinamide dinucleotide
    • Nicotineamide adenine dinucleotide
    • Nadidum [INN-Latin]
    • Nadida [INN-Spanish]
    • .beta.-NAD
    • Nadide [USAN:INN:BAN:JAN]
    • EINECS 200-184-4
    • NSC 20272
    • BRN 3584133
    • 0U46U6E8UK
    • NADIDE [USAN]
    • NADIDUM [HPUS]
    • NADIDE [INN]
    • NADIDE [JAN]
    • NADIDE [WHO-DD]
    • NADIDE [MART.]
    • NSC-20272
    • NAD(SUP +)
    • 3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt
    • Nicotinamide Adinine Dinucleotide
    • EC 200-184-4
    • 5-26-16-00399 (Beilstein Handbook Reference)
    • Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
    • Nadidum (INN-Latin)
    • Nadida (INN-Spanish)
    • NADIDE (MART.)
    • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, hydroxide, inner salt
    • Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt
    • betaNAD+
    • 3-CARBAMOYL-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM HYDROXIDE 5'->5'-ESTER WITH ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE) INNER SALT
    • 3-CARBAMOYL-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM HYDROXIDE, 5'-ESTER WITH ADENOSINE 5'-PYROPHOSPHATE, INNER SALT
    • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
    • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 5'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM, HYDROXIDE, INNER SALT
    • Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
    • Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
    • nadid
    • betaNAD
    • (((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-oxidophosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphate;hydron
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydron
    • Viatrexx-NAD Plus
    • (((2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-oxidophosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphate
    • ((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphate
    • [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
    • [[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    • RefChem:831676
    • Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt
    • Adeninenicotinamide dinucleotide
    • betaDiphosphopyridine nucleotide
    • Nicotinamideadenine dinucleotide
    • betaNicotinamide adenine dinucleotide
    • NICOTINAMIDE ADENINE DINUCLEOTIDE [INCI]
    • 200-184-4
    • 3-CARBAMOYL-1-BETA-D-RIBOFURANOSYLPYRIDINIUM HYDROXIDE 5'->5'-ESTER WITH ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE) INNER SALT
    • 3-Carbamoyl-1-Beta-D-Ribofuranosylpyridinium Hydroxide 5'-5'-Ester with Adenosine 5'-(Trihydrogen Pyrophosphate) Inner Salt
    • 3Carbamoyl1betaDribofuranosylpyridinium hydroxide, 5'ester with adenosine 5'pyrophosphate, inner salt
    • Adenosine 5'(trihydrogen diphosphate), 5'5'ester with 3(aminocarbonyl)1betaDribofuranosylpyridinium, hydroxide, inner salt
    • Adenosine 5'(trihydrogen diphosphate), P'.fwdarw.5'ester with 3(aminocarbonyl)1betaDribofuranosylpyridinium, inner salt
    • Adenosine 5'(trihydrogen diphosphate), P'>5'ester with 3(aminocarbonyl)1betaDribofuranosylpyridinium, inner salt
    • Adenosine 5'(trihydrogen diphosphate), P'5'ester with 3(aminocarbonyl)1betaDribofuranosylpyridinium hydroxide, inner salt
    • Adenosine 5'(trihydrogen diphosphate), P'5'ester with 3(aminocarbonyl)1betaDribofuranosylpyridinium, inner salt
    • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
    • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 5'->5'-ESTER WITH 3-(AMINOCARBONYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM, HYDROXIDE, INNER SALT
    • Pyridinium, 3carbamoyl1betaDribofuranosyl, hydroxide, 5'ester with adenosine 5'5'(trihydrogen pyrophosphate), inner salt
    • (((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    • NAD+
    • beta-nicotinamide adenine dinucleotide
    • beta-NAD+
    • NAD
    • CO-I
    • NAD Lithium salt
    • Nicotinamide dinucleotide
    • NAD zwitterion
    • CO-1
    • beta-DPN
    • 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
    • DTXSID2045236
    • MFCD00036253
    • 64417-72-7
    • Nicotinamide adenine dinucleotide (NAD)
    • Nicotinamide-Adenine-Dinucleotide
    • DPN-ox
    • Endopride
    • DPN+
    • NAD+, Free Acid
    • beta-Nicotinamide adenine dinucleotide hydrate
    • beta-Nicotinamide adenine dinucleotide(NAD)
    • beta-Diphosphopyridinenucleotide
    • Co I
    • Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
    • UNII-0U46U6E8UK
    • NADLithiumsalt
    • NSC20272
    • NAD trihydrate
    • CAS-53-84-9
    • NCGC00016240-01
    • NAD+ (Standard)
    • [adenylate-32-P]-NAD
    • Carbonyl [14C] NAD+
    • NAD [MI]
    • NAD, Grade I, free acid
    • [adenylate-32-P]-NAD+
    • NAD, Grade II, free acid
    • SCHEMBL131544
    • SPECTRUM1500419
    • Pyridine nucleotide diphosphate
    • GTPL2451
    • CHEMBL1234613
    • DTXCID0025236
    • SCHEMBL29351635
    • 53-84-9

  • Applications

    Nadide (CAS 53-84-9) is considered an organic synthesis intermediate and may be used as a solvent or processing aid in industrial production. Typical applications include plastics and polymers production, components for coatings and inks, an additive role in adhesives, and formulations for industrial cleaning products, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.92
    methanol 3.36
    isopropanol 0.27
    water 1.0
    ethyl acetate 0.09
    n-propanol 0.51
    acetone 0.92
    n-butanol 0.27
    acetonitrile 0.37
    DMF 11.69
    toluene 0.01
    isobutanol 0.13
    1,4-dioxane 0.45
    methyl acetate 0.34
    THF 1.25
    2-butanone 0.59
    n-pentanol 0.11
    sec-butanol 0.19
    n-hexane 0.0
    ethylene glycol 3.85
    NMP 16.94
    cyclohexane 0.0
    DMSO 14.08
    n-butyl acetate 0.09
    n-octanol 0.08
    chloroform 0.1
    n-propyl acetate 0.08
    acetic acid 6.48
    dichloromethane 0.12
    cyclohexanone 0.63
    propylene glycol 3.42
    isopropyl acetate 0.04
    DMAc 8.68
    2-ethoxyethanol 2.06
    isopentanol 0.09
    n-heptane 0.0
    ethyl formate 0.81
    1,2-dichloroethane 0.08
    n-hexanol 0.07
    2-methoxyethanol 9.03
    isobutyl acetate 0.02
    tetrachloromethane 0.02
    n-pentyl acetate 0.11
    transcutol 1.38
    n-heptanol 0.13
    ethylbenzene 0.0
    MIBK 0.06
    2-propoxyethanol 1.21
    tert-butanol 0.09
    MTBE 0.02
    2-butoxyethanol 1.29
    propionic acid 1.1
    o-xylene 0.01
    formic acid 38.32
    diethyl ether 0.05
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.36
    n-octane 0.0
    formamide 26.35
    cyclopentanone 2.06
    2-pentanone 0.23
    anisole 0.02
    cyclopentyl methyl ether 0.07
    gamma-butyrolactone 2.85
    1-methoxy-2-propanol 2.17
    pyridine 0.42
    3-pentanone 0.16
    furfural 4.04
    n-dodecane 0.0
    diethylene glycol 3.16
    diisopropyl ether 0.0
    tert-amyl alcohol 0.09
    acetylacetone 0.31
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.24
    isopentyl acetate 0.05
    trichloroethylene 0.2
    n-nonanol 0.08
    cyclohexanol 0.09
    benzyl alcohol 0.08
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.3
    propylene carbonate 0.69
    n-methylformamide 8.83
    2-pentanol 0.06
    n-pentane 0.0
    1-propoxy-2-propanol 0.5
    1-methoxy-2-propyl acetate 0.16
    2-(2-methoxypropoxy) propanol 0.56
    mesitylene 0.0
    ε-caprolactone 0.59
    p-cymene 0.0
    epichlorohydrin 1.12
    1,1,1-trichloroethane 0.03
    2-aminoethanol 3.57
    morpholine-4-carbaldehyde 7.27
    sulfolane 7.23
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.21
    n-hexyl acetate 0.09
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.14
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 13.73
    diglyme 1.87
    acrylic acid 2.57
    isopropyl myristate 0.02
    n-butyric acid 0.66
    acetyl acetate 0.07
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.06
    nitromethane 11.03
    1,2-diethoxyethane 0.1
    benzonitrile 0.08
    trioctyl phosphate 0.06
    1-bromopropane 0.02
    gamma-valerolactone 7.52
    n-decanol 0.05
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.02
    propionitrile 0.17
    vinylene carbonate 0.66
    1,1,2-trichlorotrifluoroethane 5.41
    DMS 0.09
    cumene 0.0
    2-octanol 0.05
    2-hexanone 0.11
    octyl acetate 0.06
    limonene 0.01
    1,2-dimethoxyethane 1.46
    ethyl orthosilicate 0.04
    tributyl phosphate 0.05
    diacetone alcohol 0.28
    N,N-dimethylaniline 0.02
    acrylonitrile 0.5
    aniline 0.06
    1,3-propanediol 3.27
    bromobenzene 0.01
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.16
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.16
    diisobutyl methanol 0.01
    2-phenylethanol 0.07
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 1.12
    ethyl butyrate 0.07
    methyl lactate 1.35
    butyl lactate 0.37
    diethyl carbonate 0.05
    propanediol butyl ether 1.39
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.14
    morpholine 0.94
    tert-butylamine 0.02
    n-dodecanol 0.03
    dimethoxymethane 1.41
    ethylene carbonate 0.38
    cyrene 1.57
    2-ethoxyethyl acetate 0.24
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.15
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.55
    dimethyl isosorbide 0.73
    tetrachloroethylene 0.13
    eugenol 0.3
    triacetin 0.17
    span 80 0.47
    1,4-butanediol 0.82
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.04
    methyl formate 5.9
    2-methyl-1-butanol 0.12
    n-decane 0.0
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.29
    tetrahydropyran 0.14
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 1.23
    1-hexene 0.01
    2-isopropoxyethanol 0.39
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 0.15

    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