Methscopolamine bromide

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  • Identifiers

    CAS number
    155-41-9

    Molecular formula
    C18H24BrNO4

    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.[Br-]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 53.59%
    Mint 29.59%
    Cooling 28.2%
    Floral 26.1%
    Sweet 25.85%
    Woody 22.01%
    Fruity 21.61%
    Bitter 21.57%
    Herbal 21.37%
    Balsamic 19.42%

    Scent© AI

  • Properties

    Molecular weight
    398.3 g/mol

    Flash point est.
    26.14 ˚C

  • Synonyms

    • METHSCOPOLAMINE BROMIDE
    • 155-41-9
    • scopolamine methyl bromide
    • Holopon
    • Hyoscine Methobromide
    • Hyoscine methyl bromide
    • (-)-Scopolamine methyl bromide
    • Methscopolamine (bromide)
    • Scopolamine methylbromide
    • Pamine
    • Scopolamine methobromide
    • Methylscopolamine bromide
    • Epoxytropine tropate methylbromide
    • MFCD00078560
    • N-Methylhyoscinium bromide
    • RTN51LK7WL
    • Proscomide
    • N-Methylscopolamine Bromide
    • (-)-scopolamine methobromide
    • N-Methylhyoscine bromide
    • MLS000069754
    • CHEMBL3091667
    • DTXSID2040608
    • CHEBI:61276
    • N-Methylscopolammonium bromide
    • Ampyrox
    • Mescopil
    • Paraspan
    • Restropin
    • Blocan
    • Diopal
    • Nutrop
    • NSC-120606
    • Neo-Avagal
    • Lescopine bromide
    • SMR000058794
    • (S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide
    • Epoxymethamine bromide
    • Hyoscine methylbromide
    • Methscopolamine bromide [USP]
    • Methoscopylamine bromide
    • (-)-Scopolamine methyl bromide;Hyoscine methyl bromide
    • DTXCID0020608
    • Scordin
    • Pamine Forte
    • Methylscopolamine hydrobromide
    • CAS-155-41-9
    • Hyoscin methobromide
    • Hyoscin-N-methylbromid
    • SCOPOLAMMONIUM, N-METHYLBROMIDE
    • Scopolamin-N-methylbromid
    • UNII-RTN51LK7WL
    • Homatropine Methylbromide Imp. D (EP); (1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide; Homatropine Methylbromide Imp. D (EP) as Bromide; Methylhyoscine Bromide; Oxitropium bromide EP impurity B; Homatropine Methylbromide Impurity D as Bromide
    • Scopolammonium, N-methyl-, bromide
    • EINECS 205-844-5
    • NSC 120606
    • Opera_ID_514
    • Methscopolamine (Pamine)
    • NCGC00013724-01
    • EC 205-844-5
    • U 0382
    • SCHEMBL152483
    • CHEMBL1354199
    • CXYRUNPLKGGUJF-OZVSTBQFSA-M
    • CXYRUNPLKGGUJF-RAFJPFSSSA-M
    • HMS2235K24
    • HMS3884G18
    • HY-B0344
    • METHSCOPOLAMINE BROMIDE [MI]
    • Tox21_110037
    • BDBM50494458
    • s1978
    • HYOSCINE METHOBROMIDE [MART.]
    • AKOS030524090
    • Tox21_110037_1
    • CCG-268630
    • DS-3286
    • FM61567
    • METHSCOPOLAMINE BROMIDE [VANDF]
    • SCOPOLAMINE METHYL BROMIDE [MI]
    • 1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, bromide, (-)-tropate
    • 6beta,7beta-Epoxy-3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide (-)-tropate
    • METHSCOPOLAMINE BROMIDE [USP-RS]
    • NCGC00022697-03
    • 1-alpha-H,5-alpha-H-Tropanium,6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester)
    • 7-(3-Hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-3-oxo-9-azoniatricyclo-(3.3.1.0(2,4))nonane bromide
    • DA-55376
    • METHSCOPOLAMINE BROMIDE [ORANGE BOOK]
    • SW219038-1
    • METHSCOPOLAMINE BROMIDE [USP MONOGRAPH]
    • EN300-7375674
    • (-)-Scopolamine methyl bromide, >=98% (HPLC), powder
    • BROMIDE SALT OF OXITROPIUM BROMIDE IMPURITY B [EP IMPURITY]
    • Methscopolamine bromide, United States Pharmacopeia (USP) Reference Standard
    • (-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide
    • Oxitropium bromide impurity B, European Pharmacopoeia (EP) Reference Standard
    • (1R,2R,4S,5S,7R)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-9-ium bromide
    • (1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide (Methylhyoscine Bromide)
    • (1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
    • (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
    • (1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromidebromide
    • [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
    • [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
    • 1-alpha-H,5-alpha-H-Tropanium, 6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester)
    • 3-OXA-9-AZONIATRICYCLO(3.3.1.0(SUP 2,4))NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, BROMIDE, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-
    • 3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
    • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide (1:1), (1alpha,2beta,4beta,5alpha,7beta)-
    • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-
    • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide (1:1), (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-
    • 6.BETA.,7.BETA.-EPOXY-3.ALPHA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE (-)-TROPATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.08
    methanol 54.31
    isopropanol 6.29
    water 8.67
    ethyl acetate 3.54
    n-propanol 7.7
    acetone 11.0
    n-butanol 5.68
    acetonitrile 10.76
    DMF 53.93
    toluene 0.31
    isobutanol 3.98
    1,4-dioxane 7.1
    methyl acetate 4.36
    THF 6.84
    2-butanone 4.62
    n-pentanol 4.61
    sec-butanol 2.81
    n-hexane 0.07
    ethylene glycol 56.52
    NMP 24.9
    cyclohexane 0.12
    DMSO 75.54
    n-butyl acetate 3.19
    n-octanol 2.05
    chloroform 18.19
    n-propyl acetate 3.44
    acetic acid 49.71
    dichloromethane 16.85
    cyclohexanone 7.72
    propylene glycol 15.3
    isopropyl acetate 2.72
    DMAc 40.63
    2-ethoxyethanol 34.16
    isopentanol 4.54
    n-heptane 0.13
    ethyl formate 8.81
    1,2-dichloroethane 7.92
    n-hexanol 3.72
    2-methoxyethanol 73.37
    isobutyl acetate 2.23
    tetrachloromethane 2.27
    n-pentyl acetate 3.47
    transcutol 61.16
    n-heptanol 3.61
    ethylbenzene 0.37
    MIBK 3.87
    2-propoxyethanol 29.93
    tert-butanol 4.03
    MTBE 0.6
    2-butoxyethanol 22.18
    propionic acid 11.54
    o-xylene 0.45
    formic acid 137.49
    diethyl ether 1.54
    m-xylene 0.47
    p-xylene 0.62
    chlorobenzene 1.15
    dimethyl carbonate 6.05
    n-octane 0.08
    formamide 142.34
    cyclopentanone 9.61
    2-pentanone 4.78
    anisole 1.55
    cyclopentyl methyl ether 1.74
    gamma-butyrolactone 12.84
    1-methoxy-2-propanol 34.07
    pyridine 5.1
    3-pentanone 2.77
    furfural 22.81
    n-dodecane 0.08
    diethylene glycol 72.06
    diisopropyl ether 0.41
    tert-amyl alcohol 2.22
    acetylacetone 9.5
    n-hexadecane 0.09
    acetophenone 4.12
    methyl propionate 4.61
    isopentyl acetate 3.18
    trichloroethylene 16.4
    n-nonanol 2.33
    cyclohexanol 2.61
    benzyl alcohol 4.88
    2-ethylhexanol 1.84
    isooctanol 2.82
    dipropyl ether 1.48
    1,2-dichlorobenzene 2.12
    ethyl lactate 8.84
    propylene carbonate 7.67
    n-methylformamide 45.44
    2-pentanol 2.11
    n-pentane 0.08
    1-propoxy-2-propanol 13.99
    1-methoxy-2-propyl acetate 8.34
    2-(2-methoxypropoxy) propanol 16.56
    mesitylene 0.37
    ε-caprolactone 7.42
    p-cymene 0.65
    epichlorohydrin 15.83
    1,1,1-trichloroethane 3.53
    2-aminoethanol 40.12
    morpholine-4-carbaldehyde 34.18
    sulfolane 22.46
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 2.02
    n-hexyl acetate 3.45
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 24.26
    sec-butyl acetate 1.73
    tert-butyl acetate 2.46
    decalin 0.07
    glycerin 63.81
    diglyme 40.66
    acrylic acid 18.98
    isopropyl myristate 1.41
    n-butyric acid 12.66
    acetyl acetate 4.25
    di(2-ethylhexyl) phthalate 4.42
    ethyl propionate 2.91
    nitromethane 62.27
    1,2-diethoxyethane 5.38
    benzonitrile 4.13
    trioctyl phosphate 2.76
    1-bromopropane 1.72
    gamma-valerolactone 27.72
    n-decanol 1.65
    triethyl phosphate 2.98
    4-methyl-2-pentanol 1.84
    propionitrile 5.15
    vinylene carbonate 10.02
    1,1,2-trichlorotrifluoroethane 50.19
    DMS 4.39
    cumene 0.43
    2-octanol 1.47
    2-hexanone 3.41
    octyl acetate 2.18
    limonene 0.7
    1,2-dimethoxyethane 23.04
    ethyl orthosilicate 2.36
    tributyl phosphate 3.01
    diacetone alcohol 10.64
    N,N-dimethylaniline 1.88
    acrylonitrile 11.12
    aniline 1.87
    1,3-propanediol 38.5
    bromobenzene 0.84
    dibromomethane 7.37
    1,1,2,2-tetrachloroethane 13.11
    2-methyl-cyclohexyl acetate 3.27
    tetrabutyl urea 4.98
    diisobutyl methanol 1.2
    2-phenylethanol 5.8
    styrene 0.38
    dioctyl adipate 3.1
    dimethyl sulfate 11.94
    ethyl butyrate 2.94
    methyl lactate 16.95
    butyl lactate 8.74
    diethyl carbonate 2.83
    propanediol butyl ether 18.38
    triethyl orthoformate 2.85
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 7.43
    morpholine 10.55
    tert-butylamine 1.22
    n-dodecanol 1.16
    dimethoxymethane 23.93
    ethylene carbonate 7.46
    cyrene 18.91
    2-ethoxyethyl acetate 7.72
    2-ethylhexyl acetate 2.1
    1,2,4-trichlorobenzene 2.78
    4-methylpyridine 2.92
    dibutyl ether 1.08
    2,6-dimethyl-4-heptanol 1.2
    DEF 8.56
    dimethyl isosorbide 20.2
    tetrachloroethylene 10.8
    eugenol 13.26
    triacetin 7.7
    span 80 12.2
    1,4-butanediol 19.24
    1,1-dichloroethane 4.23
    2-methyl-1-pentanol 3.16
    methyl formate 27.16
    2-methyl-1-butanol 3.26
    n-decane 0.12
    butyronitrile 4.57
    3,7-dimethyl-1-octanol 1.97
    1-chlorooctane 0.54
    1-chlorotetradecane 0.26
    n-nonane 0.09
    undecane 0.09
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 3.57
    tetrahydropyran 2.09
    tert-amyl methyl ether 0.68
    2,5,8-trioxanonane 27.59
    1-hexene 0.27
    2-isopropoxyethanol 14.83
    2,2,2-trifluoroethanol 37.13
    methyl butyrate 4.6

    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