Sulindac

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  • Identifiers

    CAS number
    38194-50-2

    Molecular formula
    C20H17FO3S

    SMILES
    CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 51.95%
    Fruity 36.75%
    Grape 33.99%
    Neroli 33.97%
    Sweet 30.04%
    Fatty 29.09%
    Powdery 28.63%
    Honey 26.66%
    Orange 23.63%
    Animal 23.35%

     

    Flavor
    Bitter 61.56%
    Odorless 32.96%
    Mild 23.33%
    Nitrile 21.91%
    Orange flower 20.56%
    Bread crust 20.33%
    Very strong 20.1%
    Taco 20.05%
    Heather 19.97%
    Indole 19.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.85 (weak acid)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    647°C

    Melting point expt.

    • 183 °C

    Flash point

    • 271.51 ˚C est.

    Solubility expt.

    • 3000 mg/L
    • 2.51e-02 g/L

  • Synonyms

    • sulindac
    • 38194-50-2
    • Clinoril
    • Arthrocine
    • Artribid
    • Sulindaco
    • Sulindacum
    • Aflodac
    • Citireuma
    • Sulindac sulfoxide
    • Sulreuma
    • Imbaral
    • MK-231
    • Algocetil
    • Clisundac
    • Reumofil
    • Sulinol
    • Sudac
    • MK 231
    • cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid
    • (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
    • cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
    • 184SNS8VUH
    • NSC-757344
    • CHEBI:9352
    • 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid
    • DTXSID4023624
    • 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-, (Z)-
    • DTXCID703624
    • Klinoril
    • (Z)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
    • Reumyl
    • Chibret
    • Novo Sundac
    • Novo-Sundac
    • Nu Sulindac
    • Apo Sulin
    • Apo-Sulin
    • 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-
    • 1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-, (1Z)-
    • MK231
    • 2-((1Z)-5-fluoro-1-((4-methanesulfinylphenyl)methylidene)-2-methyl-1H-inden-3-yl)acetic acid
    • RefChem:56287
    • M01AB02
    • (Z)-5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
    • cis-5-fluoro-2-methyl-1-(p-(methylsulfinyl)benzylidene)indene-3-acetic acid
    • (1Z)-(5-Fluoro-2-methyl-1-(4-((RS)-methylsulfinyl)benzylidene)-lH-inden-3-yl)acetic acid
    • 253-819-2
    • (Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
    • Mobilin
    • C20H17FO3S
    • CHEMBL15770
    • MFCD00599589
    • s2007
    • 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
    • NCGC00015970-02
    • CAS-38194-50-2
    • Sulindacum [INN-Latin]
    • Sulindaco [INN-Spanish]
    • cis-Sulindac
    • (S,Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
    • 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid
    • Clinoril (TN)
    • CCRIS 3305
    • {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
    • 5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
    • SR-01000075237
    • EINECS 253-819-2
    • UNII-184SNS8VUH
    • BRN 2951842
    • Moblilin
    • (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
    • Sulindac CRS
    • (Z)-2-[5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl]acetic Acid
    • 2-(5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylene}inden-3-yl)acetic acid
    • 1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-
    • EINECS 250-893-8
    • EINECS 256-402-3
    • Sulindac (Standard)
    • Sulindac [USAN:USP:INN:BAN:JAN]
    • Sulindac 100 microg/mL in Acetonitrile
    • Tocris-1707
    • SULINDAC [USAN]
    • SULINDAC [INN]
    • SULINDAC [JAN]
    • SULINDAC [MI]
    • SULINDAC [VANDF]
    • Prestwick3_000073
    • Spectrum5_001024
    • Lopac-S-8139
    • SULINDAC [MART.]
    • SULINDAC [USP-RS]
    • SULINDAC [WHO-DD]
    • S 8139
    • Sulindac, >=98.0%
    • SCHEMBL4202
    • Lopac0_001070
    • BSPBio_000285
    • BSPBio_002890
    • MLS001056554
    • Sulindac - Bio-X trade mark
    • SPECTRUM1500556
    • Sulindac (JP18/USP/INN)
    • SULINDAC [ORANGE BOOK]
    • BPBio1_000315
    • GTPL5425
    • orb1310592
    • SULINDAC [EP MONOGRAPH]
    • SCHEMBL29360981
    • SULINDAC [USP MONOGRAPH]
    • CHEBI:93811
    • HMS501O03
    • HY-B0008R
    • MSK7166
    • (1Z)-5-Fluoro-2-methyl-1-[(4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid
    • cMAP_000021
    • GLXC-20079
    • HMS1921C11
    • HMS2092K15
    • HMS2095O07
    • HMS2231N24
    • HMS3259K06
    • HMS3263E22
    • HMS3414N11
    • HMS3649P19
    • HMS3678N09
    • HMS3712O07
    • 38194-50-2

  • Applications

    Sulindac (CAS number: 38194-50-2) is primarily used as an active pharmaceutical ingredient (API) in nonsteroidal anti-inflammatory drug (NSAID) products. In pharmaceutical research and development, it is commonly used as a lead compound or reference for the development of NSAID analogs and for structure–activity relationship (SAR) studies. In analytical laboratories, Sulindac can serve as a reference material for method validation and quantification. Its applications are centered on pharmaceutical formulations and related research, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.2
    methanol 70.62
    isopropanol 33.41
    water 0.08
    ethyl acetate 11.23
    n-propanol 38.92
    acetone 109.0
    n-butanol 19.46
    acetonitrile 34.81
    DMF 257.58
    toluene 1.09
    isobutanol 16.55
    1,4-dioxane 80.62
    methyl acetate 27.53
    THF 187.63
    2-butanone 59.45
    n-pentanol 16.16
    sec-butanol 17.02
    n-hexane 0.03
    ethylene glycol 20.46
    NMP 46.18
    cyclohexane 0.07
    DMSO 262.24
    n-butyl acetate 9.78
    n-octanol 5.23
    chloroform 12.69
    n-propyl acetate 12.76
    acetic acid 35.92
    dichloromethane 13.72
    cyclohexanone 48.06
    propylene glycol 31.05
    isopropyl acetate 6.5
    DMAc 189.59
    2-ethoxyethanol 90.64
    isopentanol 12.0
    n-heptane 0.04
    ethyl formate 16.02
    1,2-dichloroethane 10.78
    n-hexanol 8.45
    2-methoxyethanol 171.41
    isobutyl acetate 5.89
    tetrachloromethane 0.61
    n-pentyl acetate 8.11
    transcutol 82.4
    n-heptanol 6.94
    ethylbenzene 1.05
    MIBK 10.09
    2-propoxyethanol 66.21
    tert-butanol 19.71
    MTBE 3.78
    2-butoxyethanol 29.43
    propionic acid 17.74
    o-xylene 0.8
    formic acid 26.89
    diethyl ether 5.04
    m-xylene 0.72
    p-xylene 1.58
    chlorobenzene 2.47
    dimethyl carbonate 13.53
    n-octane 0.05
    formamide 67.66
    cyclopentanone 81.14
    2-pentanone 22.6
    anisole 11.37
    cyclopentyl methyl ether 7.26
    gamma-butyrolactone 56.66
    1-methoxy-2-propanol 96.28
    pyridine 29.9
    3-pentanone 13.0
    furfural 42.59
    n-dodecane 0.12
    diethylene glycol 72.66
    diisopropyl ether 0.68
    tert-amyl alcohol 9.93
    acetylacetone 31.22
    n-hexadecane 0.14
    acetophenone 13.7
    methyl propionate 15.08
    isopentyl acetate 8.72
    trichloroethylene 19.59
    n-nonanol 5.86
    cyclohexanol 8.21
    benzyl alcohol 18.13
    2-ethylhexanol 3.92
    isooctanol 5.35
    dipropyl ether 4.05
    1,2-dichlorobenzene 2.77
    ethyl lactate 13.93
    propylene carbonate 16.26
    n-methylformamide 81.54
    2-pentanol 5.56
    n-pentane 0.02
    1-propoxy-2-propanol 31.05
    1-methoxy-2-propyl acetate 19.55
    2-(2-methoxypropoxy) propanol 26.38
    mesitylene 0.46
    ε-caprolactone 26.94
    p-cymene 1.05
    epichlorohydrin 82.2
    1,1,1-trichloroethane 3.8
    2-aminoethanol 44.99
    morpholine-4-carbaldehyde 98.0
    sulfolane 60.64
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 22.77
    n-hexyl acetate 9.17
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 38.66
    sec-butyl acetate 5.66
    tert-butyl acetate 6.65
    decalin 0.08
    glycerin 49.72
    diglyme 72.31
    acrylic acid 15.86
    isopropyl myristate 4.15
    n-butyric acid 18.53
    acetyl acetate 7.47
    di(2-ethylhexyl) phthalate 6.99
    ethyl propionate 8.86
    nitromethane 94.66
    1,2-diethoxyethane 18.78
    benzonitrile 12.19
    trioctyl phosphate 4.61
    1-bromopropane 2.59
    gamma-valerolactone 125.6
    n-decanol 4.42
    triethyl phosphate 5.28
    4-methyl-2-pentanol 3.34
    propionitrile 21.25
    vinylene carbonate 16.62
    1,1,2-trichlorotrifluoroethane 49.18
    DMS 10.18
    cumene 0.81
    2-octanol 3.65
    2-hexanone 20.31
    octyl acetate 6.13
    limonene 1.17
    1,2-dimethoxyethane 122.05
    ethyl orthosilicate 5.01
    tributyl phosphate 5.47
    diacetone alcohol 21.87
    N,N-dimethylaniline 5.79
    acrylonitrile 32.29
    aniline 7.2
    1,3-propanediol 65.31
    bromobenzene 1.57
    dibromomethane 5.32
    1,1,2,2-tetrachloroethane 16.61
    2-methyl-cyclohexyl acetate 8.43
    tetrabutyl urea 11.84
    diisobutyl methanol 2.3
    2-phenylethanol 15.04
    styrene 1.33
    dioctyl adipate 8.79
    dimethyl sulfate 20.89
    ethyl butyrate 7.96
    methyl lactate 22.55
    butyl lactate 13.17
    diethyl carbonate 6.19
    propanediol butyl ether 24.29
    triethyl orthoformate 7.49
    p-tert-butyltoluene 0.86
    methyl 4-tert-butylbenzoate 12.66
    morpholine 109.72
    tert-butylamine 3.86
    n-dodecanol 3.15
    dimethoxymethane 105.16
    ethylene carbonate 14.09
    cyrene 31.16
    2-ethoxyethyl acetate 17.45
    2-ethylhexyl acetate 5.81
    1,2,4-trichlorobenzene 4.49
    4-methylpyridine 16.78
    dibutyl ether 4.63
    2,6-dimethyl-4-heptanol 2.3
    DEF 23.53
    dimethyl isosorbide 37.27
    tetrachloroethylene 6.8
    eugenol 21.33
    triacetin 13.52
    span 80 16.92
    1,4-butanediol 29.06
    1,1-dichloroethane 6.23
    2-methyl-1-pentanol 9.48
    methyl formate 51.74
    2-methyl-1-butanol 10.95
    n-decane 0.17
    butyronitrile 16.47
    3,7-dimethyl-1-octanol 4.09
    1-chlorooctane 1.25
    1-chlorotetradecane 0.6
    n-nonane 0.11
    undecane 0.14
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 15.93
    tetrahydropyran 29.14
    tert-amyl methyl ether 2.99
    2,5,8-trioxanonane 54.26
    1-hexene 0.36
    2-isopropoxyethanol 39.15
    2,2,2-trifluoroethanol 13.73
    methyl butyrate 14.85

    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