Dextromethorphan hydrobromide monohydrate

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  • Identifiers

    CAS number
    6700-34-1

    Molecular formula
    C18H28BrNO2

    SMILES
    CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.O.Br

    Safety labels

  • Odor profile

    Fragrance
    Animal 48.78%
    Floral 36.99%
    Sweet 35.98%
    Earthy 31.19%
    Musk 27.98%
    Woody 27.48%
    Spicy 25.36%
    Leathery 24.71%
    Amber 24.7%
    Fresh 24.22%

     

    Flavor
    Bitter 53.02%
    Fruity 30.69%
    Animal 28.59%
    Sweet 26.84%
    Earthy 26.75%
    Alkaline 23.35%
    Cereal 22.3%
    Fruit 22.27%
    Patchouli 21.8%
    Very strong 21.53%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.12 (weak base)

    Molecular weight
    370.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Flash point

    • 173.94 ˚C est.

    Solubility expt.

    • >55.5 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Dextromethorphan hydrobromide monohydrate
    • 6700-34-1
    • Dextromethorphan hydrobromide hydrate
    • Contac Cough Formula
    • Sudafed Cold and Cough
    • Dextromethorphan (hydrobromide hydrate)
    • Robitussin Maximum Strength Cough & Cold
    • Dimacol
    • Rondec dm
    • Robitussin CF
    • Robitussin DM
    • 3-Methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan hydrobromide monohydrate
    • DTXSID8045569
    • Tylenol Children's Cough Cold Chewable Tablets
    • d-3-Methoxy-N-methylmorphinan hydrobromide
    • (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide
    • NCGC00017066-01
    • CAS-6700-34-1
    • SMR000326694
    • Prestwick_686
    • Benylin DM (TN)
    • UNII-9D2RTI9KYH
    • (9S,13S,14S)-3-Methoxy-17-methylmorphinan hydrobromide
    • destrometorfano bromidrato
    • Dextromethorphan hydrobromide [USP:BAN:JAN]
    • bromidrato de dextrometorfano
    • Dextrometorphane hydrobromide
    • C18H28BrNO2
    • bromhidrato de dextrometorfano
    • MLS000758303
    • MLS001056752
    • MLS001401442
    • MLS002153263
    • MLS002207070
    • orb342053
    • SCHEMBL121923
    • bromhydrate de dextromethorphane
    • CHEMBL1256818
    • SCHEMBL29359586
    • Dextromethorphan hydrobromide CRS
    • S4617 Dextromethorphan hydrobrom
    • DTXCID301476126
    • HMS1569G19
    • Dextromethorphan hydrobromide (USP)
    • HY-B1333
    • Tox21_110766
    • MFCD02173901
    • s4617
    • AKOS015915877
    • CCG-100762
    • CS-4457
    • FD11997
    • NC00012
    • Morphinan, 3-methoxy-17-methyl-, (9alpha,13alpha,14alpha)-, hydrobromide, monohydrate
    • NCGC00017066-02
    • Dextromethorphan for system suitability CRS
    • DEXTROMETHORPHAN HYDROBROMIDE [VANDF]
    • Dextromethorphan hydrobromide hydrate (JP18)
    • 3-methoxy-17-methyl-morphinane; hydrobromide
    • DEXTROMETHORPHAN HYDROBROMIDE [USP-RS]
    • DEXTROMETHORPHAN HYDROBROMIDE [WHO-IP]
    • D00848
    • DEXTROMETHORPHANI HYDROBROMIDUM [WHO-IP]
    • A854646
    • DEXTROMETHORPHAN HYDROBROMIDE [ORANGE BOOK]
    • DEXTROMETHORPHAN HYDROBROMIDE HYDRATE [JAN]
    • DEXTROMETHORPHAN HYDROBROMIDE [EP MONOGRAPH]
    • DEXTROMETHORPHAN HYDROBROMIDE [USP MONOGRAPH]
    • AVP-923 COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • NUEDEXTA COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • Q27272376
    • BROMFED-DM COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • DEXTROMETHORPHAN HYDROBROMIDE MONOHYDRATE [WHO-DD]
    • Dextromethorphan hydrobromide monohydrate, >=99% (TLC)
    • MUCINEX DM COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • BROMANATE DM COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • DIMETANE-DX COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • PHERAZINE DM COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • Dextromethorphan hydrobromide, meets USP testing specifications
    • PROMETHAZINE DM COMPONENT DEXTROMETHORPHAN HYDROBROMIDE
    • (9S,13S,14S)-3-Methoxy-17-methylmorphinan hydrobromide monohydrate
    • 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan hydrobromide hydrate
    • Dextromethorphan hydrobromide monohydrate, tested according to Ph.Eur.
    • 3-METHOXY-17-METHYL-9.ALPHA.,13.ALPHA.,14.ALPHA.-MORPHINAN HBR MONOHYDRATE
    • 3-Methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan--hydrogen bromide--water (1/1/1)
    • Dextromethorphan HBr, Pharmaceutical Secondary Standard; Certified Reference Material
    • Dextromethorphan Hydrobromide Monohydrate 1.0 mg/ml in Methanol (as anhydrous free base)
    • Dextromethorphan hydrobromide, European Pharmacopoeia (EP) Reference Standard
    • Dextromethorphan hydrobromide, United States Pharmacopeia (USP) Reference Standard
    • (4bS,8aS,9S)-3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene hydrobromide hydrate
    • MORPHINAN, 3-METHOXY-17-METHYL-, (9.ALPHA.,13.ALPHA.,14.ALPHA.)-, HBR, MONOHYDRATE
    • MORPHINAN, 3-METHOXY-17-METHYL-, (9.ALPHA.,13.ALPHA.,14.ALPHA.)-, HYDROBROMIDE, MONOHYDRATE
    • 6700-34-1

  • Applications

    Dextromethorphan hydrobromide monohydrate (CAS 6700-34-1) is primarily used as an active pharmaceutical ingredient in cough suppressant formulations (antitussive), typically in over-the-counter syrups and tablets. The hydrobromide monohydrate salt form can improve solubility and formulation processing for oral dosage forms. It is commonly involved in pharmaceutical development and quality control, including solubility and stability assessment and as part of formulation feasibility studies. In manufacturing and supply chains, it serves as an API for pharmaceutical products. The compound may also be evaluated in medicinal chemistry research and used as a reference standard for analytical assays and QC testing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.92
    methanol 227.31
    isopropanol 114.03
    water 1.8
    ethyl acetate 245.64
    n-propanol 194.01
    acetone 202.71
    n-butanol 197.68
    acetonitrile 84.74
    DMF 285.76
    toluene 186.41
    isobutanol 121.76
    1,4-dioxane 592.23
    methyl acetate 191.69
    THF 306.55
    2-butanone 174.66
    n-pentanol 68.16
    sec-butanol 52.65
    n-hexane 1.64
    ethylene glycol 82.57
    NMP 102.99
    cyclohexane 21.01
    DMSO 196.44
    n-butyl acetate 157.95
    n-octanol 25.65
    chloroform 1245.09
    n-propyl acetate 111.38
    acetic acid 185.9
    dichloromethane 947.27
    cyclohexanone 346.83
    propylene glycol 42.46
    isopropyl acetate 140.18
    DMAc 165.16
    2-ethoxyethanol 208.52
    isopentanol 135.51
    n-heptane 3.17
    ethyl formate 288.73
    1,2-dichloroethane 568.9
    n-hexanol 100.27
    2-methoxyethanol 492.14
    isobutyl acetate 97.25
    tetrachloromethane 160.03
    n-pentyl acetate 91.43
    transcutol 526.15
    n-heptanol 49.53
    ethylbenzene 43.55
    MIBK 97.43
    2-propoxyethanol 280.55
    tert-butanol 91.54
    MTBE 58.02
    2-butoxyethanol 146.04
    propionic acid 142.51
    o-xylene 94.37
    formic acid 112.76
    diethyl ether 119.98
    m-xylene 104.55
    p-xylene 58.03
    chlorobenzene 282.15
    dimethyl carbonate 117.85
    n-octane 2.06
    formamide 161.26
    cyclopentanone 273.51
    2-pentanone 148.65
    anisole 91.38
    cyclopentyl methyl ether 130.91
    gamma-butyrolactone 330.02
    1-methoxy-2-propanol 207.97
    pyridine 413.34
    3-pentanone 123.34
    furfural 424.6
    n-dodecane 2.28
    diethylene glycol 298.06
    diisopropyl ether 27.59
    tert-amyl alcohol 38.18
    acetylacetone 204.77
    n-hexadecane 2.8
    acetophenone 110.89
    methyl propionate 168.91
    isopentyl acetate 147.33
    trichloroethylene 994.5
    n-nonanol 28.27
    cyclohexanol 140.17
    benzyl alcohol 138.64
    2-ethylhexanol 53.44
    isooctanol 42.0
    dipropyl ether 41.16
    1,2-dichlorobenzene 231.25
    ethyl lactate 69.72
    propylene carbonate 210.14
    n-methylformamide 266.5
    2-pentanol 54.82
    n-pentane 4.39
    1-propoxy-2-propanol 130.26
    1-methoxy-2-propyl acetate 197.75
    2-(2-methoxypropoxy) propanol 94.36
    mesitylene 53.81
    ε-caprolactone 275.58
    p-cymene 39.19
    epichlorohydrin 541.92
    1,1,1-trichloroethane 334.68
    2-aminoethanol 120.06
    morpholine-4-carbaldehyde 329.76
    sulfolane 217.14
    2,2,4-trimethylpentane 3.24
    2-methyltetrahydrofuran 152.2
    n-hexyl acetate 79.36
    isooctane 3.01
    2-(2-butoxyethoxy)ethanol 152.72
    sec-butyl acetate 75.85
    tert-butyl acetate 106.86
    decalin 6.84
    glycerin 111.12
    diglyme 330.51
    acrylic acid 143.98
    isopropyl myristate 34.06
    n-butyric acid 307.84
    acetyl acetate 186.76
    di(2-ethylhexyl) phthalate 54.86
    ethyl propionate 92.18
    nitromethane 325.98
    1,2-diethoxyethane 165.32
    benzonitrile 194.01
    trioctyl phosphate 36.55
    1-bromopropane 176.69
    gamma-valerolactone 565.93
    n-decanol 22.72
    triethyl phosphate 59.33
    4-methyl-2-pentanol 42.74
    propionitrile 130.79
    vinylene carbonate 287.92
    1,1,2-trichlorotrifluoroethane 366.62
    DMS 118.46
    cumene 33.79
    2-octanol 21.31
    2-hexanone 71.49
    octyl acetate 42.93
    limonene 43.53
    1,2-dimethoxyethane 283.06
    ethyl orthosilicate 58.79
    tributyl phosphate 45.43
    diacetone alcohol 103.63
    N,N-dimethylaniline 52.58
    acrylonitrile 192.53
    aniline 231.75
    1,3-propanediol 278.14
    bromobenzene 286.34
    dibromomethane 506.83
    1,1,2,2-tetrachloroethane 668.54
    2-methyl-cyclohexyl acetate 81.75
    tetrabutyl urea 50.47
    diisobutyl methanol 30.92
    2-phenylethanol 148.39
    styrene 56.19
    dioctyl adipate 57.53
    dimethyl sulfate 119.62
    ethyl butyrate 103.21
    methyl lactate 91.98
    butyl lactate 77.19
    diethyl carbonate 84.91
    propanediol butyl ether 77.63
    triethyl orthoformate 84.24
    p-tert-butyltoluene 34.29
    methyl 4-tert-butylbenzoate 88.68
    morpholine 501.14
    tert-butylamine 43.28
    n-dodecanol 18.71
    dimethoxymethane 308.37
    ethylene carbonate 281.15
    cyrene 101.41
    2-ethoxyethyl acetate 190.99
    2-ethylhexyl acetate 111.3
    1,2,4-trichlorobenzene 261.62
    4-methylpyridine 314.99
    dibutyl ether 30.64
    2,6-dimethyl-4-heptanol 30.92
    DEF 158.87
    dimethyl isosorbide 152.79
    tetrachloroethylene 532.29
    eugenol 100.6
    triacetin 102.94
    span 80 74.64
    1,4-butanediol 74.05
    1,1-dichloroethane 347.11
    2-methyl-1-pentanol 64.79
    methyl formate 244.42
    2-methyl-1-butanol 95.37
    n-decane 3.22
    butyronitrile 145.16
    3,7-dimethyl-1-octanol 33.39
    1-chlorooctane 17.61
    1-chlorotetradecane 9.15
    n-nonane 2.43
    undecane 2.65
    tert-butylcyclohexane 4.45
    cyclooctane 6.02
    cyclopentanol 98.5
    tetrahydropyran 341.7
    tert-amyl methyl ether 33.56
    2,5,8-trioxanonane 186.9
    1-hexene 9.28
    2-isopropoxyethanol 114.64
    2,2,2-trifluoroethanol 105.98
    methyl butyrate 124.01

    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