Indomethacin Sodium

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  • Identifiers

    CAS number
    7681-54-1

    Molecular formula
    C19H15ClNNaO4

    SMILES
    CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Floral 46.14%
    Grape 42.98%
    Sweet 38.53%
    Neroli 37.87%
    Odorless 34.88%
    Musk 34.7%
    Powdery 34.46%
    Fruity 33.0%
    Fatty 28.9%
    Animal 27.25%

     

    Flavor
    Bitter 84.81%
    Odorless 44.71%
    Bland 24.68%
    Mild 23.81%
    Sweet-like 20.41%
    Nitrile 20.14%
    Orange flower 19.81%
    Very strong 19.5%
    Indole 19.16%
    Orange blossom 19.02%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    4.81 (weak acid)

    Molecular weight
    379.8 g/mol

    Flash point

    • 255.57 ˚C est.

  • Synonyms

    • INDOMETHACIN SODIUM
    • 7681-54-1
    • Sodium indomethacin
    • Osmosin
    • Indomethacin (sodium)
    • Indocin I.V.
    • EINECS 231-670-4
    • Indomethacin sodium anhydrous
    • Indometacin (sodium)
    • Sodium 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
    • UNII-1C9D998830
    • Sodium 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate
    • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, sodium salt
    • 1C9D998830
    • DTXSID20227631
    • sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
    • Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, sodium salt
    • sodium 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
    • 1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, SODIUM SALT (1:1)
    • INDOMETACIN SODIUM (MART.)
    • INDOMETHACIN SODIUM (USP MONOGRAPH)
    • sodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
    • SCHEMBL3772654
    • DTXCID70150122
    • JMHRGKDWGWORNU-UHFFFAOYSA-M
    • AKOS016014921
    • AC-13625
    • HY-15034
    • DB-361541
    • CS-0003710
    • NS00081564
    • EN300-19807396
    • Q27252232
    • sodium,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
    • 231-670-4

  • Applications

    Indomethacin Sodium (CAS 7681-54-1) is primarily used as an active pharmaceutical ingredient (API) in drug formulations, including oral tablets and parenteral injections, to deliver anti-inflammatory and analgesic NSAID effects; as the sodium salt it offers improved aqueous solubility which supports formulation in liquid and injectable dosage forms; it also serves as an important intermediate in the synthesis and development of NSAIDs and in formulation science for solubility and bioavailability optimization; thus its applications are centered in pharmaceutical development, formulation, and research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.66
    methanol 12.78
    isopropanol 12.91
    water 0.0
    ethyl acetate 30.54
    n-propanol 14.51
    acetone 114.36
    n-butanol 9.44
    acetonitrile 21.42
    DMF 172.36
    toluene 4.28
    isobutanol 9.11
    1,4-dioxane 152.04
    methyl acetate 55.87
    THF 256.54
    2-butanone 124.62
    n-pentanol 9.09
    sec-butanol 12.42
    n-hexane 0.01
    ethylene glycol 3.41
    NMP 67.29
    cyclohexane 0.1
    DMSO 175.15
    n-butyl acetate 14.69
    n-octanol 4.31
    chloroform 43.61
    n-propyl acetate 21.81
    acetic acid 25.55
    dichloromethane 37.59
    cyclohexanone 128.56
    propylene glycol 6.04
    isopropyl acetate 11.93
    DMAc 276.75
    2-ethoxyethanol 59.61
    isopentanol 7.99
    n-heptane 0.01
    ethyl formate 25.64
    1,2-dichloroethane 20.75
    n-hexanol 3.97
    2-methoxyethanol 79.64
    isobutyl acetate 10.41
    tetrachloromethane 0.3
    n-pentyl acetate 12.68
    transcutol 65.3
    n-heptanol 4.16
    ethylbenzene 1.9
    MIBK 11.66
    2-propoxyethanol 40.84
    tert-butanol 11.58
    MTBE 6.8
    2-butoxyethanol 23.45
    propionic acid 15.02
    o-xylene 1.88
    formic acid 9.82
    diethyl ether 4.02
    m-xylene 1.13
    p-xylene 4.17
    chlorobenzene 9.62
    dimethyl carbonate 18.8
    n-octane 0.02
    formamide 25.44
    cyclopentanone 158.82
    2-pentanone 37.11
    anisole 19.6
    cyclopentyl methyl ether 12.59
    gamma-butyrolactone 105.98
    1-methoxy-2-propanol 44.2
    pyridine 90.37
    3-pentanone 25.82
    furfural 75.23
    n-dodecane 0.1
    diethylene glycol 32.18
    diisopropyl ether 0.42
    tert-amyl alcohol 10.8
    acetylacetone 53.31
    n-hexadecane 0.13
    acetophenone 27.35
    methyl propionate 33.6
    isopentyl acetate 12.22
    trichloroethylene 59.81
    n-nonanol 5.16
    cyclohexanol 11.85
    benzyl alcohol 27.62
    2-ethylhexanol 2.5
    isooctanol 3.77
    dipropyl ether 2.0
    1,2-dichlorobenzene 6.46
    ethyl lactate 12.41
    propylene carbonate 30.19
    n-methylformamide 49.33
    2-pentanol 3.23
    n-pentane 0.0
    1-propoxy-2-propanol 19.5
    1-methoxy-2-propyl acetate 21.47
    2-(2-methoxypropoxy) propanol 26.98
    mesitylene 0.48
    ε-caprolactone 71.17
    p-cymene 1.0
    epichlorohydrin 138.04
    1,1,1-trichloroethane 7.63
    2-aminoethanol 7.96
    morpholine-4-carbaldehyde 127.87
    sulfolane 90.59
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 53.69
    n-hexyl acetate 13.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 34.12
    sec-butyl acetate 10.32
    tert-butyl acetate 9.1
    decalin 0.07
    glycerin 12.88
    diglyme 66.66
    acrylic acid 13.63
    isopropyl myristate 6.61
    n-butyric acid 21.85
    acetyl acetate 12.7
    di(2-ethylhexyl) phthalate 9.3
    ethyl propionate 16.05
    nitromethane 94.92
    1,2-diethoxyethane 24.28
    benzonitrile 24.08
    trioctyl phosphate 5.83
    1-bromopropane 4.41
    gamma-valerolactone 242.73
    n-decanol 4.09
    triethyl phosphate 6.27
    4-methyl-2-pentanol 1.86
    propionitrile 19.23
    vinylene carbonate 33.54
    1,1,2-trichlorotrifluoroethane 51.23
    DMS 17.66
    cumene 1.05
    2-octanol 3.17
    2-hexanone 36.16
    octyl acetate 9.28
    limonene 1.2
    1,2-dimethoxyethane 116.26
    ethyl orthosilicate 5.4
    tributyl phosphate 7.31
    diacetone alcohol 22.34
    N,N-dimethylaniline 8.21
    acrylonitrile 34.05
    aniline 16.18
    1,3-propanediol 22.65
    bromobenzene 6.95
    dibromomethane 12.54
    1,1,2,2-tetrachloroethane 41.85
    2-methyl-cyclohexyl acetate 9.84
    tetrabutyl urea 16.3
    diisobutyl methanol 1.49
    2-phenylethanol 16.19
    styrene 3.36
    dioctyl adipate 12.37
    dimethyl sulfate 29.04
    ethyl butyrate 10.51
    methyl lactate 20.47
    butyl lactate 14.46
    diethyl carbonate 7.64
    propanediol butyl ether 19.64
    triethyl orthoformate 8.41
    p-tert-butyltoluene 0.83
    methyl 4-tert-butylbenzoate 14.87
    morpholine 150.34
    tert-butylamine 2.02
    n-dodecanol 3.14
    dimethoxymethane 78.8
    ethylene carbonate 30.01
    cyrene 32.93
    2-ethoxyethyl acetate 26.85
    2-ethylhexyl acetate 8.84
    1,2,4-trichlorobenzene 11.37
    4-methylpyridine 57.93
    dibutyl ether 5.78
    2,6-dimethyl-4-heptanol 1.49
    DEF 45.3
    dimethyl isosorbide 34.16
    tetrachloroethylene 13.98
    eugenol 21.0
    triacetin 17.98
    span 80 17.16
    1,4-butanediol 10.81
    1,1-dichloroethane 14.78
    2-methyl-1-pentanol 8.24
    methyl formate 41.43
    2-methyl-1-butanol 8.3
    n-decane 0.12
    butyronitrile 15.66
    3,7-dimethyl-1-octanol 4.02
    1-chlorooctane 1.37
    1-chlorotetradecane 0.74
    n-nonane 0.06
    undecane 0.11
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 18.52
    tetrahydropyran 69.28
    tert-amyl methyl ether 4.93
    2,5,8-trioxanonane 48.09
    1-hexene 0.19
    2-isopropoxyethanol 31.06
    2,2,2-trifluoroethanol 9.64
    methyl butyrate 29.18

    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