Cogentin

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  • Identifiers

    CAS number
    132-17-2

    Molecular formula
    C22H29NO4S

    SMILES
    CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 38.97%
    Fruity 38.95%
    Floral 38.58%
    Animal 30.57%
    Earthy 28.01%
    Herbal 26.23%
    Bitter 24.53%
    Almond 22.83%
    Green 22.28%
    Balsamic 21.65%

     

    Flavor
    Bitter 56.08%
    Fruity 27.75%
    Sweet 22.4%
    Green 21.76%
    Waxy 20.51%
    Herbal 20.41%
    Cedarleaf 20.27%
    Earthy 19.87%
    Naphthalic 19.81%
    Alkaline 19.7%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.07 (weak base)

    Molecular weight
    403.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 183.11 ˚C est.

  • Synonyms

    • BENZTROPINE MESYLATE
    • 132-17-2
    • Cogentin
    • Benztropine mesilate
    • benzatropine mesylate
    • Benzatropine mesilate
    • Benzotropine mesylate
    • Benztropine methanesulfonate
    • Benztropine methylsulfonate
    • WMJ8TL7510
    • DTXSID0045096
    • Benzatropine methanesulfonate
    • NSC-169913
    • 3-Diphenylmethoxytropane mesylate
    • Cobrentin methanesulfonate
    • 3alpha-(Diphenylmethoxy)-1alphaH,5alphaH-tropane methanesulfonate
    • Benztropine mesylate [USP]
    • (1R,3R,5S)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
    • C22H29NO4S
    • MK 02
    • MFCD00074784
    • (1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
    • Tropine benzohydryl ether methanesulfonate
    • UNII-WMJ8TL7510
    • BENZTROPINE MESILATE [JAN]
    • NSC-42199
    • s3163
    • endo-3-(Diphenylmethoxy)-8-methyl-8-azoniabicyclo(3.2.1)octane methanesulphonate
    • EINECS 205-048-8
    • NSC 169913
    • Lopac-B-8262
    • SCHEMBL41808
    • HY-B0520AR
    • orb1308934
    • Benzatropine mesylate;Benzotropine mesylate;Benztropine methanesulfonate
    • CHEMBL1200383
    • CHEMBL1257125
    • CHEMBL1442985
    • DTXCID8025096
    • SCHEMBL29766845
    • CPFJLLXFNPCTDW-BWSPSPBFSA-N
    • Benztropine (mesylate) (Standard)
    • GLXC-06086
    • HMS3715L13
    • HMS3885A11
    • NCI42199
    • BENZTROPINE MESYLATE [VANDF]
    • Tox21_110028
    • CCG-37380
    • EBC-07857
    • MFCD00866568
    • NCGC00013495
    • BENZATROPINE MESILATE [MART.]
    • BENZTROPINE MESYLATE [USP-RS]
    • 1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-, methanesulfonate
    • 3-alpha-(Diphenylmethoxy)-1-alpha-H, 5-alpha-H-tropane methanesulfonate
    • AKOS025214111
    • BENZATROPINE MESILATE [WHO-DD]
    • Benztropine mesylate, >=98% (HPLC)
    • CCG-221176
    • CCG-268681
    • 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-methyl-, endo-, methanesulfonate
    • s11569
    • BENZTROPINE METHANESULFONATE [MI]
    • NCGC00013495-01
    • NCGC00013495-02
    • NCGC00016118-01
    • NCGC00096609-01
    • 3-Diphenyl methoxytropane methanesulfonate
    • BENZTROPINE MESYLATE [ORANGE BOOK]
    • CAS-132-17-2
    • DA-52010
    • PD052615
    • SY234395
    • BENZTROPINE MESYLATE [USP IMPURITY]
    • BENZTROPINE MESYLATE [USP MONOGRAPH]
    • 8-AZABICYCLO(3.2.1)OCTANE, 3-(DIPHENYLMETHOXY)-8-METHYL-, (3-ENDO)-, METHANESULFONATE (1:1)
    • EN300-7386482
    • 132B172
    • Q27105931
    • Z2235802006
    • 1alphaH,5alphaH-Tropane, 3alpha-(diphenylmethoxy)-, methanesulfonate
    • Benztropine mesylate, United States Pharmacopeia (USP) Reference Standard
    • endo-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octanemethanesulfonate
    • 3.ALPHA.-(DIPHENYLMETHOXY)-1.ALPHA.H,5.ALPHA.H-TROPANE METHANESULPHONATE
    • 8-AZABICYCLO(3.2.1)OCTANE, 3-(DIPHENYLMETHOXY)-, ENDO, METHANESULFONATE
    • 8-AZABICYCLO(3.2.1)OCTANE, 3-(DIPHENYLMETHOXY)-, ENDO, METHANESULPHONATE
    • Methanesulfonic acid--(1R,3r,5S)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane (1/1)
    • 132-17-2

  • Applications

    Cogentin is used in pharmaceuticals as the active pharmaceutical ingredient for the management of Parkinson's disease and drug-induced extrapyramidal symptoms; it is also employed as an adjunct to other antiparkinsonian therapies to help reduce tremor, rigidity, and bradykinesia; in research settings it serves as a pharmacological tool to study muscarinic receptor antagonism and cholinergic signaling; in pharmaceutical development and manufacturing it is considered for formulation design and quality control of products containing the active ingredient, subject to applicable regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.59
    methanol 48.92
    isopropanol 47.86
    water 0.7
    ethyl acetate 283.2
    n-propanol 82.23
    acetone 160.73
    n-butanol 93.61
    acetonitrile 109.04
    DMF 85.71
    toluene 228.0
    isobutanol 63.59
    1,4-dioxane 536.83
    methyl acetate 193.73
    THF 493.5
    2-butanone 197.63
    n-pentanol 82.61
    sec-butanol 53.29
    n-hexane 20.36
    ethylene glycol 16.71
    NMP 77.76
    cyclohexane 61.38
    DMSO 139.6
    n-butyl acetate 224.53
    n-octanol 43.98
    chloroform 1789.18
    n-propyl acetate 198.09
    acetic acid 145.32
    dichloromethane 1624.19
    cyclohexanone 301.18
    propylene glycol 25.5
    isopropyl acetate 185.27
    DMAc 204.07
    2-ethoxyethanol 175.45
    isopentanol 96.61
    n-heptane 20.54
    ethyl formate 176.08
    1,2-dichloroethane 829.72
    n-hexanol 94.16
    2-methoxyethanol 159.71
    isobutyl acetate 157.46
    tetrachloromethane 155.24
    n-pentyl acetate 122.21
    transcutol 792.78
    n-heptanol 56.47
    ethylbenzene 106.56
    MIBK 134.9
    2-propoxyethanol 210.71
    tert-butanol 50.2
    MTBE 90.73
    2-butoxyethanol 133.15
    propionic acid 103.54
    o-xylene 114.73
    formic acid 40.13
    diethyl ether 218.04
    m-xylene 125.9
    p-xylene 127.29
    chlorobenzene 339.53
    dimethyl carbonate 106.94
    n-octane 9.66
    formamide 70.82
    cyclopentanone 272.9
    2-pentanone 171.59
    anisole 187.68
    cyclopentyl methyl ether 198.62
    gamma-butyrolactone 321.96
    1-methoxy-2-propanol 128.96
    pyridine 427.05
    3-pentanone 175.71
    furfural 355.89
    n-dodecane 8.91
    diethylene glycol 128.35
    diisopropyl ether 69.06
    tert-amyl alcohol 48.52
    acetylacetone 238.77
    n-hexadecane 10.46
    acetophenone 177.88
    methyl propionate 172.14
    isopentyl acetate 208.89
    trichloroethylene 1351.54
    n-nonanol 51.53
    cyclohexanol 107.77
    benzyl alcohol 136.23
    2-ethylhexanol 79.38
    isooctanol 54.87
    dipropyl ether 143.88
    1,2-dichlorobenzene 306.54
    ethyl lactate 97.0
    propylene carbonate 246.85
    n-methylformamide 63.88
    2-pentanol 61.92
    n-pentane 19.22
    1-propoxy-2-propanol 157.37
    1-methoxy-2-propyl acetate 243.64
    2-(2-methoxypropoxy) propanol 145.56
    mesitylene 75.69
    ε-caprolactone 288.16
    p-cymene 65.86
    epichlorohydrin 651.66
    1,1,1-trichloroethane 528.67
    2-aminoethanol 40.01
    morpholine-4-carbaldehyde 226.11
    sulfolane 232.51
    2,2,4-trimethylpentane 12.28
    2-methyltetrahydrofuran 265.99
    n-hexyl acetate 136.35
    isooctane 9.28
    2-(2-butoxyethoxy)ethanol 204.35
    sec-butyl acetate 156.66
    tert-butyl acetate 139.04
    decalin 27.17
    glycerin 44.2
    diglyme 493.63
    acrylic acid 99.55
    isopropyl myristate 70.94
    n-butyric acid 192.4
    acetyl acetate 219.1
    di(2-ethylhexyl) phthalate 69.66
    ethyl propionate 172.43
    nitromethane 237.81
    1,2-diethoxyethane 335.24
    benzonitrile 181.18
    trioctyl phosphate 42.94
    1-bromopropane 352.24
    gamma-valerolactone 401.41
    n-decanol 41.83
    triethyl phosphate 98.47
    4-methyl-2-pentanol 52.14
    propionitrile 120.05
    vinylene carbonate 263.4
    1,1,2-trichlorotrifluoroethane 344.47
    DMS 158.03
    cumene 73.1
    2-octanol 31.79
    2-hexanone 153.17
    octyl acetate 80.33
    limonene 79.26
    1,2-dimethoxyethane 343.96
    ethyl orthosilicate 98.33
    tributyl phosphate 66.33
    diacetone alcohol 111.22
    N,N-dimethylaniline 101.0
    acrylonitrile 138.76
    aniline 191.67
    1,3-propanediol 75.82
    bromobenzene 401.9
    dibromomethane 905.47
    1,1,2,2-tetrachloroethane 999.2
    2-methyl-cyclohexyl acetate 143.88
    tetrabutyl urea 70.57
    diisobutyl methanol 51.39
    2-phenylethanol 132.91
    styrene 139.7
    dioctyl adipate 109.57
    dimethyl sulfate 119.23
    ethyl butyrate 190.95
    methyl lactate 83.53
    butyl lactate 96.9
    diethyl carbonate 150.92
    propanediol butyl ether 82.6
    triethyl orthoformate 153.74
    p-tert-butyltoluene 55.07
    methyl 4-tert-butylbenzoate 123.14
    morpholine 381.98
    tert-butylamine 36.78
    n-dodecanol 34.52
    dimethoxymethane 204.51
    ethylene carbonate 250.86
    cyrene 112.65
    2-ethoxyethyl acetate 221.01
    2-ethylhexyl acetate 176.46
    1,2,4-trichlorobenzene 311.3
    4-methylpyridine 289.65
    dibutyl ether 116.95
    2,6-dimethyl-4-heptanol 51.39
    DEF 156.22
    dimethyl isosorbide 245.02
    tetrachloroethylene 634.29
    eugenol 121.7
    triacetin 174.9
    span 80 98.7
    1,4-butanediol 39.07
    1,1-dichloroethane 576.49
    2-methyl-1-pentanol 86.72
    methyl formate 75.87
    2-methyl-1-butanol 77.71
    n-decane 15.1
    butyronitrile 139.68
    3,7-dimethyl-1-octanol 64.34
    1-chlorooctane 58.65
    1-chlorotetradecane 27.77
    n-nonane 13.16
    undecane 10.97
    tert-butylcyclohexane 19.84
    cyclooctane 23.09
    cyclopentanol 80.75
    tetrahydropyran 406.08
    tert-amyl methyl ether 77.84
    2,5,8-trioxanonane 297.4
    1-hexene 68.76
    2-isopropoxyethanol 133.15
    2,2,2-trifluoroethanol 83.25
    methyl butyrate 208.6

    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