Methylscopolamine Nitrate

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  • Identifiers

    CAS number
    6106-46-3

    Molecular formula
    C18H24N2O7

    SMILES
    C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-]

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 39.65%
    Sweet 35.03%
    Fruity 34.44%
    Floral 31.11%
    Balsamic 28.06%
    Cooling 27.29%
    Mint 26.64%
    Herbal 25.51%
    Fresh 24.77%
    Woody 23.24%

     

    Flavor
    Bitter 74.31%
    Odorless 28.48%
    Bland 25.42%
    Sweet-like 22.92%
    Cedarleaf 20.64%
    Heather 19.13%
    Fatty 19.1%
    Broom 18.99%
    Genet 18.88%
    Nitrile 18.86%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    6.57 (neutral)

    Molecular weight
    380.4 g/mol

    Melting point expt.

    • 718.2 °F

    Flash point

    • 88.69 ˚C est.

    Solubility expt.

    • >57.1 [ug/mL] (The mean of the results at pH 7.4)
    • FREELY SOL IN WATER, DIL ALC; SLIGHTLY SOL IN ABS ALC

  • Synonyms

    • Methscopolamine nitrate
    • SCOPOLAMINE METHYL NITRATE
    • Mescomine
    • Skopolate
    • Viscope
    • Hyoscine methonitrate
    • 6106-46-3
    • METHYLSCOPOLAMINE NITRATE
    • Methnite
    • Pylorpine
    • Scotrate
    • Skopyl
    • Scopolamine methylnitrate
    • (-)-N-Methylhyoscinium nitrate
    • Methylscopolaminnitrat
    • Methylscopolamini nitras
    • Scopolamin-N-methylnitrat
    • Methylscopolaminium nitrat
    • Methylscopolaminium nitricum
    • N-Methylscopolaminium-nitrat
    • K0813KQM3V
    • MLS000028382
    • Epoxytropine tropate methylnitrate
    • HSDB 6104
    • EINECS 228-065-2
    • Methyl nitrate, compd with scopolamine
    • SMR000058604
    • Scopolamine, compd with methyl nitrate (1:1)
    • DTXSID70891260
    • HYOSCINE METHONITRATE [MART.]
    • METHSCOPOLAMINE NITRATE [VANDF]
    • SCOPOLAMINE METHYL NITRATE [MI]
    • METHYLSCOPOLAMINE NITRATE [HSDB]
    • 1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, nitrate, (-)-tropate
    • [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;nitrate
    • 3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, nitrate (salt)
    • HYOSCINE METHONITRATE (MART.)
    • 1-.ALPHA.-H,5-.ALPHA.-H-TROPANIUM, 6-.BETA.,7-.BETA.-EPOXY-3-.ALPHA.HYDROXY-8-METHYL-, NITRATE, (-)-TROPATE
    • 1-alpha-H,5-alpha-H-Tropanium, 6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, nitrate, (-)-tropate
    • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (1alpha,2beta,4beta,5alpha,7beta)-, nitrate (1:1)
    • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (1alpha,2beta,4beta,5alpha,7beta)-, nitrate (salt)
    • N-Methylscopolamine nitrate
    • UNII-K0813KQM3V
    • Opera_ID_538
    • N-Methylscopolammonium nitrate
    • cid_657297
    • CHEMBL1506225
    • REGID_for_CID_657297
    • BDBM37635
    • BSQIVYOSLFLSGE-RAFJPFSSSA-N
    • DTXCID001030424
    • Methylscopolamine nitrate [WHO-DD]
    • MFCD00078239
    • HYOSCINE METHONITRATE [WHO-DD]
    • N-Methylscopolammonium nitrate (6CI,7CI)
    • T72700
    • Q27281767
    • 1-ALPHA-H,5-ALPHA-H-TROPANIUM, 6-BETA,7-BETA-EPOXY-3-ALPHAHYDROXY-8-METHYL-, NITRATE, (-)-TROPATE
    • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-, nitrate (1:1)
    • Benzeneacetic acid, alpha,-(hydroxymethyl)-, 9-methyl-3-oxa-9-aztricyclo(3.3.1.02,4) non-7-yl ester, (7(S)-(1 alpha, 2 beta, 4 beta, 5 alpha, 7 beta))-, compd with methyl nitrate 1:1)

  • Applications

    Methylscopolamine Nitrate (CAS 6106-46-3) is a quaternary ammonium antimuscarinic agent used primarily as an active pharmaceutical ingredient to produce peripheral anticholinergic effects. It is employed to reduce gastric and intestinal secretions and to relieve smooth-muscle spasm, supporting formulation and administration of GI-targeted drugs; it can be used as a perioperative antispasmodic to limit secretions and cramping, and as a salt form that aids formulation stability and handling. In addition, it is used as a pharmacology research tool to study peripheral muscarinic receptors and receptor-mediated processes in preclinical work. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.59
    methanol 77.91
    isopropanol 37.02
    water 0.61
    ethyl acetate 46.97
    n-propanol 38.91
    acetone 83.81
    n-butanol 33.52
    acetonitrile 69.62
    DMF 88.17
    toluene 9.33
    isobutanol 22.27
    1,4-dioxane 111.0
    methyl acetate 52.16
    THF 127.51
    2-butanone 59.89
    n-pentanol 20.16
    sec-butanol 18.09
    n-hexane 0.24
    ethylene glycol 32.56
    NMP 38.67
    cyclohexane 1.22
    DMSO 129.85
    n-butyl acetate 22.49
    n-octanol 6.48
    chloroform 216.67
    n-propyl acetate 26.21
    acetic acid 118.53
    dichloromethane 151.47
    cyclohexanone 71.63
    propylene glycol 25.25
    isopropyl acetate 26.82
    DMAc 108.88
    2-ethoxyethanol 93.79
    isopentanol 25.26
    n-heptane 0.42
    ethyl formate 41.41
    1,2-dichloroethane 76.21
    n-hexanol 15.73
    2-methoxyethanol 171.9
    isobutyl acetate 16.97
    tetrachloromethane 11.52
    n-pentyl acetate 15.14
    transcutol 198.6
    n-heptanol 9.62
    ethylbenzene 3.87
    MIBK 25.68
    2-propoxyethanol 86.15
    tert-butanol 25.45
    MTBE 9.66
    2-butoxyethanol 45.84
    propionic acid 38.49
    o-xylene 5.46
    formic acid 96.57
    diethyl ether 19.24
    m-xylene 5.78
    p-xylene 6.29
    chlorobenzene 21.1
    dimethyl carbonate 29.47
    n-octane 0.23
    formamide 136.97
    cyclopentanone 76.89
    2-pentanone 43.84
    anisole 16.32
    cyclopentyl methyl ether 22.42
    gamma-butyrolactone 79.47
    1-methoxy-2-propanol 101.42
    pyridine 68.8
    3-pentanone 28.9
    furfural 82.45
    n-dodecane 0.28
    diethylene glycol 107.4
    diisopropyl ether 3.6
    tert-amyl alcohol 14.58
    acetylacetone 61.66
    n-hexadecane 0.33
    acetophenone 23.93
    methyl propionate 39.53
    isopentyl acetate 22.18
    trichloroethylene 163.76
    n-nonanol 7.52
    cyclohexanol 20.37
    benzyl alcohol 27.68
    2-ethylhexanol 7.35
    isooctanol 8.1
    dipropyl ether 7.5
    1,2-dichlorobenzene 20.5
    ethyl lactate 26.59
    propylene carbonate 40.96
    n-methylformamide 73.95
    2-pentanol 13.27
    n-pentane 0.36
    1-propoxy-2-propanol 44.97
    1-methoxy-2-propyl acetate 43.41
    2-(2-methoxypropoxy) propanol 42.95
    mesitylene 3.19
    ε-caprolactone 55.44
    p-cymene 3.74
    epichlorohydrin 142.15
    1,1,1-trichloroethane 42.35
    2-aminoethanol 44.88
    morpholine-4-carbaldehyde 82.26
    sulfolane 70.64
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 42.77
    n-hexyl acetate 17.5
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 60.5
    sec-butyl acetate 15.33
    tert-butyl acetate 19.86
    decalin 0.51
    glycerin 63.83
    diglyme 121.62
    acrylic acid 45.0
    isopropyl myristate 7.5
    n-butyric acid 59.81
    acetyl acetate 36.56
    di(2-ethylhexyl) phthalate 12.39
    ethyl propionate 21.7
    nitromethane 181.61
    1,2-diethoxyethane 34.5
    benzonitrile 30.99
    trioctyl phosphate 7.92
    1-bromopropane 19.5
    gamma-valerolactone 133.7
    n-decanol 5.53
    triethyl phosphate 12.33
    4-methyl-2-pentanol 9.21
    propionitrile 42.29
    vinylene carbonate 50.65
    1,1,2-trichlorotrifluoroethane 132.51
    DMS 24.31
    cumene 2.89
    2-octanol 4.58
    2-hexanone 23.12
    octyl acetate 10.47
    limonene 4.17
    1,2-dimethoxyethane 97.21
    ethyl orthosilicate 11.08
    tributyl phosphate 10.4
    diacetone alcohol 38.86
    N,N-dimethylaniline 9.14
    acrylonitrile 61.77
    aniline 25.48
    1,3-propanediol 87.2
    bromobenzene 17.8
    dibromomethane 71.04
    1,1,2,2-tetrachloroethane 119.01
    2-methyl-cyclohexyl acetate 16.59
    tetrabutyl urea 13.59
    diisobutyl methanol 4.81
    2-phenylethanol 28.09
    styrene 5.02
    dioctyl adipate 13.25
    dimethyl sulfate 39.27
    ethyl butyrate 17.77
    methyl lactate 41.46
    butyl lactate 20.29
    diethyl carbonate 15.37
    propanediol butyl ether 31.93
    triethyl orthoformate 14.97
    p-tert-butyltoluene 3.19
    methyl 4-tert-butylbenzoate 22.68
    morpholine 111.58
    tert-butylamine 7.72
    n-dodecanol 4.06
    dimethoxymethane 95.63
    ethylene carbonate 44.28
    cyrene 38.8
    2-ethoxyethyl acetate 37.31
    2-ethylhexyl acetate 15.62
    1,2,4-trichlorobenzene 26.03
    4-methylpyridine 42.64
    dibutyl ether 6.13
    2,6-dimethyl-4-heptanol 4.81
    DEF 36.78
    dimethyl isosorbide 55.98
    tetrachloroethylene 68.69
    eugenol 29.73
    triacetin 30.76
    span 80 26.66
    1,4-butanediol 31.07
    1,1-dichloroethane 59.81
    2-methyl-1-pentanol 15.27
    methyl formate 59.57
    2-methyl-1-butanol 18.44
    n-decane 0.45
    butyronitrile 39.55
    3,7-dimethyl-1-octanol 8.01
    1-chlorooctane 2.68
    1-chlorotetradecane 1.27
    n-nonane 0.32
    undecane 0.34
    tert-butylcyclohexane 0.34
    cyclooctane 0.36
    cyclopentanol 26.09
    tetrahydropyran 51.75
    tert-amyl methyl ether 7.57
    2,5,8-trioxanonane 79.16
    1-hexene 1.47
    2-isopropoxyethanol 47.43
    2,2,2-trifluoroethanol 63.23
    methyl butyrate 29.2

    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