Pancuronium

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  • Identifiers

    CAS number
    16974-53-1

    Molecular formula
    C35H60N2O4+2

    SMILES
    CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Woody 74.69%
    Fruity 57.22%
    Herbal 49.96%
    Floral 44.94%
    Balsamic 41.35%
    Fresh 40.01%
    Cedar 39.29%
    Amber 39.27%
    Green 35.41%
    Pine 33.18%

     

    Flavor
    Fruity 44.52%
    Sweet 37.92%
    Fruit 34.38%
    Herbal 29.08%
    Bitter 28.49%
    Woody 28.34%
    Herb 24.93%
    Earthy 24.02%
    Fir needle 22.9%
    Pine 22.64%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    5.94 (weak acid)

    Molecular weight
    572.9 g/mol

    Melting point expt.

    • 215 °C

    Flash point

    • 136.73 ˚C est.

    Solubility expt.

    • 500000 mg/L
    • 1 g sol in 30 parts chloroform, 1 part water (20 °C)
    • SOL IN ALCOHOL
    • Very soluble in water.
    • 3.08e-06 g/L

  • Synonyms

    • pancuronium
    • Pavulon
    • Pancuronium dibromide
    • Pancuronium cation
    • UNII-J76UF062FS
    • J76UF062FS
    • 16974-53-1
    • CHEBI:7907
    • Bromide, Pancuronium
    • NA 97
    • [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • 15500-66-0
    • Poncuronium bromide
    • pancuronium (cation)
    • 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane
    • NSC293162
    • DTXSID7048405
    • Prestwick0_001034
    • Prestwick1_001034
    • Prestwick2_001034
    • Prestwick3_001034
    • PANCURONIUM [VANDF]
    • Lopac0_000887
    • BSPBio_001247
    • PANCURONIUM [WHO-DD]
    • Piperidinium, 1,1'-[(2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide
    • SPBio_003098
    • BPBio1_001372
    • CHEMBL185073
    • GTPL4001
    • DTXCID5028378
    • SCHEMBL13790650
    • HMS2089M07
    • CCG-204969
    • DB01337
    • NCGC00023037-03
    • NCGC00023037-04
    • NCGC00023037-05
    • NCGC00023037-09
    • NCGC00023037-14
    • 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium
    • Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-)
    • AB00384328
    • NS00003523
    • C07551
    • AB00384328-09
    • AB00384328-10
    • AB00384328_11
    • Q424297
    • VECURONIUM BROMIDE IMPURITY B [EP IMPURITY]
    • BRD-K50817623-303-05-7
    • 1,1'-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium)
    • [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • 1,1'-(3.ALPHA.,17.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN-2.BETA.,16.BETA.-YLENE)BIS(1-METHYLPIPERIDINIUM) DIACETATE
    • 1,1'-(3alpha,17beta-DIHYDROXY-5alpha-ANDROSTAN-2beta,16beta-YLENE)BIS(1-METHYLPIPERIDINIUM) DIACETATE
    • 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-13-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]-1-methylpiperidin-1-ium
    • PIPERIDINIUM, 1,1'-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)ANDROSTANE-2,16-DIYL)BIS(1-METHYL-
    • Piperidinium, 1,1'-((2Beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl)-
    • PIPERIDINIUM, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-BIS(ACETYLOXY)ANDROSTANE-2,16-DIYL)BIS(1-METHYL-

  • Applications

    Pancuronium is a steroidal, non-depolarizing neuromuscular blocking agent used primarily in human and veterinary anesthesia to achieve skeletal muscle relaxation during surgery and facilitate endotracheal intubation. It is also employed in biomedical research to study neuromuscular junction transmission and receptor pharmacology, and is used in controlled laboratory settings as a tool for investigating skeletal muscle paralysis and anesthesia related models. Use is subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.21
    methanol 15.03
    isopropanol 15.94
    water 0.15
    ethyl acetate 54.79
    n-propanol 32.04
    acetone 40.84
    n-butanol 30.21
    acetonitrile 22.03
    DMF 56.5
    toluene 65.93
    isobutanol 22.97
    1,4-dioxane 80.21
    methyl acetate 41.1
    THF 140.13
    2-butanone 57.93
    n-pentanol 27.65
    sec-butanol 17.76
    n-hexane 1.63
    ethylene glycol 3.73
    NMP 129.63
    cyclohexane 4.26
    DMSO 37.95
    n-butyl acetate 42.12
    n-octanol 12.31
    chloroform 313.27
    n-propyl acetate 38.28
    acetic acid 65.06
    dichloromethane 185.76
    cyclohexanone 113.06
    propylene glycol 6.59
    isopropyl acetate 41.74
    DMAc 116.92
    2-ethoxyethanol 51.52
    isopentanol 22.81
    n-heptane 1.33
    ethyl formate 33.55
    1,2-dichloroethane 83.6
    n-hexanol 26.58
    2-methoxyethanol 51.14
    isobutyl acetate 29.89
    tetrachloromethane 40.67
    n-pentyl acetate 47.09
    transcutol 108.02
    n-heptanol 21.3
    ethylbenzene 22.31
    MIBK 32.77
    2-propoxyethanol 79.63
    tert-butanol 11.87
    MTBE 15.89
    2-butoxyethanol 66.0
    propionic acid 41.39
    o-xylene 29.79
    formic acid 19.77
    diethyl ether 29.09
    m-xylene 34.69
    p-xylene 27.6
    chlorobenzene 86.66
    dimethyl carbonate 37.18
    n-octane 0.48
    formamide 25.41
    cyclopentanone 123.09
    2-pentanone 53.51
    anisole 38.92
    cyclopentyl methyl ether 65.35
    gamma-butyrolactone 137.51
    1-methoxy-2-propanol 51.04
    pyridine 123.67
    3-pentanone 49.11
    furfural 120.44
    n-dodecane 0.39
    diethylene glycol 33.2
    diisopropyl ether 7.82
    tert-amyl alcohol 12.72
    acetylacetone 59.93
    n-hexadecane 0.48
    acetophenone 52.01
    methyl propionate 58.1
    isopentyl acetate 40.15
    trichloroethylene 230.46
    n-nonanol 14.61
    cyclohexanol 32.85
    benzyl alcohol 46.11
    2-ethylhexanol 15.69
    isooctanol 16.64
    dipropyl ether 17.6
    1,2-dichlorobenzene 77.96
    ethyl lactate 27.75
    propylene carbonate 81.01
    n-methylformamide 36.1
    2-pentanol 16.52
    n-pentane 1.92
    1-propoxy-2-propanol 51.44
    1-methoxy-2-propyl acetate 63.43
    2-(2-methoxypropoxy) propanol 40.0
    mesitylene 15.64
    ε-caprolactone 118.12
    p-cymene 12.43
    epichlorohydrin 153.95
    1,1,1-trichloroethane 91.25
    2-aminoethanol 13.0
    morpholine-4-carbaldehyde 121.22
    sulfolane 127.64
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 75.46
    n-hexyl acetate 43.58
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 54.99
    sec-butyl acetate 28.51
    tert-butyl acetate 33.09
    decalin 2.4
    glycerin 13.87
    diglyme 97.55
    acrylic acid 41.37
    isopropyl myristate 13.17
    n-butyric acid 75.52
    acetyl acetate 52.38
    di(2-ethylhexyl) phthalate 24.3
    ethyl propionate 35.43
    nitromethane 78.76
    1,2-diethoxyethane 32.33
    benzonitrile 48.98
    trioctyl phosphate 15.23
    1-bromopropane 44.99
    gamma-valerolactone 193.99
    n-decanol 8.54
    triethyl phosphate 21.71
    4-methyl-2-pentanol 11.11
    propionitrile 29.25
    vinylene carbonate 96.04
    1,1,2-trichlorotrifluoroethane 130.42
    DMS 37.3
    cumene 13.18
    2-octanol 9.26
    2-hexanone 39.01
    octyl acetate 20.71
    limonene 13.17
    1,2-dimethoxyethane 57.45
    ethyl orthosilicate 21.2
    tributyl phosphate 16.16
    diacetone alcohol 38.08
    N,N-dimethylaniline 26.83
    acrylonitrile 36.25
    aniline 66.23
    1,3-propanediol 25.17
    bromobenzene 97.09
    dibromomethane 125.37
    1,1,2,2-tetrachloroethane 179.2
    2-methyl-cyclohexyl acetate 34.81
    tetrabutyl urea 20.59
    diisobutyl methanol 6.9
    2-phenylethanol 49.08
    styrene 26.87
    dioctyl adipate 24.46
    dimethyl sulfate 56.72
    ethyl butyrate 34.06
    methyl lactate 35.85
    butyl lactate 40.34
    diethyl carbonate 24.17
    propanediol butyl ether 34.77
    triethyl orthoformate 29.91
    p-tert-butyltoluene 10.45
    methyl 4-tert-butylbenzoate 51.18
    morpholine 100.84
    tert-butylamine 6.67
    n-dodecanol 5.05
    dimethoxymethane 59.33
    ethylene carbonate 79.41
    cyrene 60.82
    2-ethoxyethyl acetate 68.84
    2-ethylhexyl acetate 34.51
    1,2,4-trichlorobenzene 99.99
    4-methylpyridine 104.18
    dibutyl ether 9.78
    2,6-dimethyl-4-heptanol 6.9
    DEF 61.07
    dimethyl isosorbide 74.43
    tetrachloroethylene 122.51
    eugenol 49.04
    triacetin 55.88
    span 80 39.79
    1,4-butanediol 12.51
    1,1-dichloroethane 80.21
    2-methyl-1-pentanol 22.11
    methyl formate 26.41
    2-methyl-1-butanol 24.69
    n-decane 0.91
    butyronitrile 31.38
    3,7-dimethyl-1-octanol 11.16
    1-chlorooctane 6.68
    1-chlorotetradecane 1.92
    n-nonane 0.7
    undecane 0.56
    tert-butylcyclohexane 1.61
    cyclooctane 1.6
    cyclopentanol 37.17
    tetrahydropyran 77.13
    tert-amyl methyl ether 16.22
    2,5,8-trioxanonane 55.07
    1-hexene 8.25
    2-isopropoxyethanol 37.61
    2,2,2-trifluoroethanol 39.02
    methyl butyrate 43.76

    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