Zonisamide

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  • Identifiers

    CAS number
    68291-97-4

    Molecular formula
    C8H8N2O3S

    SMILES
    C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 68.09%
    Cooked 29.92%
    Roasted 26.74%
    Savory 26.26%
    Meaty 23.42%
    Sulfurous 23.29%
    Burnt 19.42%
    Pungent 18.46%
    Garlic 14.85%
    Onion 14.59%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    212.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    464°C

    Melting point expt.

    • 161-163 °C
    • 160-163 °C
    • 161 - 163 °C

    Flash point est.
    224.86 ˚C

    Solubility expt.

    • >31.8 [ug/mL] (The mean of the results at pH 7.4)
    • 0.8 mg/mL
    • Sparingly sol in chloroform, n-hexane. Sol in methanol, ethanol, ethyl acetate, and acetic acid.
    • In water, 0.80 mg/L, temp not specified
    • 2.09e+00 g/L

  • Synonyms

    • zonisamide
    • 68291-97-4
    • Zonegran
    • 1,2-Benzisoxazole-3-methanesulfonamide
    • Exceglan
    • Excegram
    • 1,2-benzoxazol-3-ylmethanesulfonamide
    • Excegran
    • Zonisamida
    • AD-810
    • Zonisamidum
    • Zonisamidum [Latin]
    • Zonisamida [Spanish]
    • CI-912
    • 3-(Sulfamoylmethyl)-1,2-benzisoxazole
    • PD-110843
    • ZONISADE
    • PD 110843
    • benzo[d]isoxazol-3-ylmethanesulfonamide
    • HSDB 7293
    • BRN 1077076
    • DTXSID9046023
    • CHEBI:10127
    • N03AX15
    • 1-(1,2-Benzoxazol-3-Yl)methanesulfonamide
    • UNII-459384H98V
    • 1-(1,2-benzisoxazol-3-yl)methanesulfonamide
    • CHEMBL750
    • SPR_2
    • Benzo[d]isoxazol-3-yl-methanesulfonamide
    • 459384H98V
    • DTXCID7026023
    • Zonisamidum (Latin)
    • Zonisamide [USAN:USP:INN:BAN:JAN]
    • 1,2-Benzisoxazol-3-ylmethanesulfonamide
    • NCGC00159319-02
    • NCGC00159319-04
    • ZONISAMIDE (MART.)
    • ZONISAMIDE [MART.]
    • ZONISAMIDE (USP-RS)
    • ZONISAMIDE [USP-RS]
    • Tremode
    • Trerief
    • ZONISAMIDE (USP MONOGRAPH)
    • ZONISAMIDE [USP MONOGRAPH]
    • Zonisamide (USAN:USP:INN:BAN:JAN)
    • Benzo(d)isoxazol-3-yl-methanesulfonamide
    • Excegran (TN)
    • SMR000596519
    • Zonisamide (ZNS)
    • CAS-68291-97-4
    • SR-01000837537
    • MFCD00865316
    • Zonisamide, ZNS
    • 1,2-Benzisoxazole-3-methanesulfonamide;3-(Sulfamoylmethyl)-1,2-benzisoxazole;AD 810
    • AD-810N
    • Zonisamide, 1
    • Zonisamide (Standard)
    • ZONISAMIDE [MI]
    • ZONISAMIDE [INN]
    • ZONISAMIDE [JAN]
    • ZONISAMIDE [HSDB]
    • ZONISAMIDE [USAN]
    • ZONISAMIDE [VANDF]
    • E-2090
    • ZONISAMIDE [WHO-DD]
    • BIDD:PXR0183
    • SCHEMBL35458
    • MLS001195632
    • MLS001306491
    • BIDD:GT0708
    • ZONISAMIDE [EMA EPAR]
    • GTPL7047
    • Zonisamide (JP18/USP/INN)
    • ZONISAMIDE [ORANGE BOOK]
    • BDBM10888
    • HY-B0124R
    • Zonisamide - Bio-X trade mark
    • HMS2089O07
    • HMS2235L13
    • HMS3259N09
    • HMS3269F21
    • HMS3413L09
    • HMS3657E03
    • HMS3677L09
    • HMS3714E19
    • HMS3742M15
    • HMS3884I17
    • Zonisamide 1.0 mg/ml in Methanol
    • BCP28480
    • HY-B0124
    • Tox21_111569
    • BBL010040
    • HB0675
    • s1445
    • STK711131
    • AKOS001312269
    • Tox21_111569_1
    • AC-1413
    • CCG-220669
    • CS-1888
    • DB00909
    • FB28784
    • KS-1142
    • NC00637
    • (1,2-benzoxazol-3-yl)methanesulfonamide
    • NCGC00159319-03
    • BZ164593
    • NS00000539
    • SW199135-2
    • Z0026
    • EN300-50288
    • C07504
    • C76163
    • D00538
    • AB00876297-09
    • AB00876297-10
    • AB00876297_11
    • Zonisamide pound>>CI-912 pound>>PD 110843
    • A836085
    • Q219957
    • SR-01000837537-2
    • SR-01000837537-3
    • SR-01000837537-8
    • BRD-K48300629-001-03-8
    • BRD-K48300629-001-13-7
    • BRD-K48300629-001-14-5
    • Z223042524

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.0
    methanol 21.46
    isopropanol 4.65
    water 1.29
    ethyl acetate 20.01
    n-propanol 3.63
    acetone 88.45
    n-butanol 2.12
    acetonitrile 51.29
    DMF 179.57
    toluene 0.26
    isobutanol 2.51
    1,4-dioxane 77.66
    methyl acetate 50.33
    THF 54.37
    2-butanone 64.22
    n-pentanol 2.72
    sec-butanol 3.77
    n-hexane 0.07
    ethylene glycol 13.75
    NMP 162.98
    cyclohexane 0.19
    DMSO 151.19
    n-butyl acetate 15.59
    n-octanol 3.08
    chloroform 0.52
    n-propyl acetate 19.73
    acetic acid 20.85
    dichloromethane 1.9
    cyclohexanone 33.27
    propylene glycol 8.48
    isopropyl acetate 7.96
    DMAc 234.66
    2-ethoxyethanol 35.57
    isopentanol 2.49
    n-heptane 0.21
    ethyl formate 25.47
    1,2-dichloroethane 2.74
    n-hexanol 3.55
    2-methoxyethanol 67.18
    isobutyl acetate 7.41
    tetrachloromethane 0.14
    n-pentyl acetate 7.34
    transcutol 54.98
    n-heptanol 2.78
    ethylbenzene 0.69
    MIBK 6.62
    2-propoxyethanol 28.77
    tert-butanol 4.53
    MTBE 3.37
    2-butoxyethanol 14.52
    propionic acid 13.09
    o-xylene 0.54
    formic acid 29.6
    diethyl ether 4.55
    m-xylene 0.27
    p-xylene 1.5
    chlorobenzene 1.18
    dimethyl carbonate 19.65
    n-octane 0.1
    formamide 81.44
    cyclopentanone 64.1
    2-pentanone 15.92
    anisole 10.88
    cyclopentyl methyl ether 6.3
    gamma-butyrolactone 80.36
    1-methoxy-2-propanol 25.73
    pyridine 21.71
    3-pentanone 19.21
    furfural 76.12
    n-dodecane 0.16
    diethylene glycol 44.43
    diisopropyl ether 0.88
    tert-amyl alcohol 4.23
    acetylacetone 38.2
    n-hexadecane 0.19
    acetophenone 19.6
    methyl propionate 23.86
    isopentyl acetate 11.25
    trichloroethylene 3.61
    n-nonanol 3.28
    cyclohexanol 2.83
    benzyl alcohol 8.24
    2-ethylhexanol 3.29
    isooctanol 2.37
    dipropyl ether 4.91
    1,2-dichlorobenzene 2.0
    ethyl lactate 16.8
    propylene carbonate 32.26
    n-methylformamide 68.03
    2-pentanol 1.37
    n-pentane 0.03
    1-propoxy-2-propanol 16.11
    1-methoxy-2-propyl acetate 20.5
    2-(2-methoxypropoxy) propanol 24.29
    mesitylene 0.3
    ε-caprolactone 34.2
    p-cymene 1.37
    epichlorohydrin 43.03
    1,1,1-trichloroethane 0.84
    2-aminoethanol 11.38
    morpholine-4-carbaldehyde 140.52
    sulfolane 88.14
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 21.57
    n-hexyl acetate 8.7
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 24.2
    sec-butyl acetate 8.57
    tert-butyl acetate 7.02
    decalin 0.15
    glycerin 24.38
    diglyme 57.58
    acrylic acid 17.84
    isopropyl myristate 4.39
    n-butyric acid 8.74
    acetyl acetate 13.33
    di(2-ethylhexyl) phthalate 7.63
    ethyl propionate 16.61
    nitromethane 128.41
    1,2-diethoxyethane 16.64
    benzonitrile 11.84
    trioctyl phosphate 5.05
    1-bromopropane 0.64
    gamma-valerolactone 114.21
    n-decanol 2.69
    triethyl phosphate 10.81
    4-methyl-2-pentanol 1.13
    propionitrile 13.9
    vinylene carbonate 26.94
    1,1,2-trichlorotrifluoroethane 31.28
    DMS 17.77
    cumene 0.77
    2-octanol 1.77
    2-hexanone 18.97
    octyl acetate 6.31
    limonene 1.84
    1,2-dimethoxyethane 100.89
    ethyl orthosilicate 7.92
    tributyl phosphate 6.62
    diacetone alcohol 14.76
    N,N-dimethylaniline 7.16
    acrylonitrile 27.0
    aniline 2.22
    1,3-propanediol 13.27
    bromobenzene 0.65
    dibromomethane 0.68
    1,1,2,2-tetrachloroethane 2.81
    2-methyl-cyclohexyl acetate 13.01
    tetrabutyl urea 12.7
    diisobutyl methanol 1.78
    2-phenylethanol 9.15
    styrene 0.9
    dioctyl adipate 10.48
    dimethyl sulfate 37.84
    ethyl butyrate 15.47
    methyl lactate 24.21
    butyl lactate 10.6
    diethyl carbonate 14.86
    propanediol butyl ether 14.06
    triethyl orthoformate 12.14
    p-tert-butyltoluene 0.94
    methyl 4-tert-butylbenzoate 12.62
    morpholine 56.58
    tert-butylamine 1.4
    n-dodecanol 2.17
    dimethoxymethane 50.95
    ethylene carbonate 23.21
    cyrene 36.54
    2-ethoxyethyl acetate 16.8
    2-ethylhexyl acetate 9.33
    1,2,4-trichlorobenzene 3.25
    4-methylpyridine 10.81
    dibutyl ether 3.94
    2,6-dimethyl-4-heptanol 1.78
    DEF 33.89
    dimethyl isosorbide 42.28
    tetrachloroethylene 1.69
    eugenol 17.39
    triacetin 17.83
    span 80 13.08
    1,4-butanediol 7.58
    1,1-dichloroethane 0.85
    2-methyl-1-pentanol 3.1
    methyl formate 65.43
    2-methyl-1-butanol 2.45
    n-decane 0.22
    butyronitrile 8.88
    3,7-dimethyl-1-octanol 2.93
    1-chlorooctane 0.88
    1-chlorotetradecane 0.56
    n-nonane 0.17
    undecane 0.19
    tert-butylcyclohexane 0.09
    cyclooctane 0.06
    cyclopentanol 6.26
    tetrahydropyran 13.38
    tert-amyl methyl ether 3.43
    2,5,8-trioxanonane 44.48
    1-hexene 0.41
    2-isopropoxyethanol 18.89
    2,2,2-trifluoroethanol 15.31
    methyl butyrate 25.41

    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