Tubocurarine Chloride Anhydrous

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  • Identifiers

    CAS number
    57-94-3

    Molecular formula
    C37H42Cl2N2O6

    SMILES
    CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.Cl.[Cl-]

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Phenolic 50.7%
    Spicy 43.57%
    Sweet 40.74%
    Vanilla 36.04%
    Smoky 35.03%
    Animal 30.48%
    Powdery 27.14%
    Balsamic 26.16%
    Burnt 24.96%
    Woody 24.05%

     

    Flavor
    Bitter 88.56%
    Cedarleaf 20.91%
    Parsley 20.47%
    Sweet-like 20.4%
    Naphthalic 20.36%
    Eugenol 20.17%
    Very strong 19.83%
    Indole 19.69%
    Cereal 19.49%
    Patchouli 19.42%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    16.51 (strong base)

    Molecular weight
    681.6 g/mol

    Flash point

    • 43.19 ˚C est.

  • Synonyms

    • Tubocurarine chloride
    • D-Tubocurarine chloride
    • 57-94-3
    • Tubarine
    • Tubocurarine chloride anhydrous
    • Tubocurarina cloruro
    • Tubocurarini chloridum
    • 7BCM17J5YA
    • Cloruro de tubocurarina
    • Chlorure de tubocurarine
    • Tubocurarine chloride, anhydrous
    • Jexin
    • Tubocuraranium, 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-, chloride, hydrochloride
    • Amerizol
    • NSC-757362
    • Tubocurarine, dichloride, pentahydrate, (+)-
    • tubocurarine (cation)
    • tubocurarinii chloridum
    • RefChem:56474
    • tubocurarinium dichloratum
    • M03AA02
    • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium
    • 2,3,13a,14,15,16,25,25a-Octahydro-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, Chloride, Hydrochloride,(13aR,25aS)-
    • 200-356-9
    • 900961Z8VR
    • d-Tubocurarine Chloride Pentahydrate
    • NSC36387
    • Tubaine
    • Tubarine pentahydrate
    • Tubocuraranium, 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-, Chloride, Hydrochloride, Pentahydrate
    • (+)-Tubocurarine chloride
    • Tubocurarine hydrochloride
    • DTXSID2023727
    • (+)-Tubocurarine chloride hydrochloride
    • (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;hydrochloride
    • DTXCID103727
    • CAS-57-94-3
    • NCGC00163242-01
    • CHEMBL292280
    • SCHEMBL1651592
    • SCHEMBL1651595
    • Tubocurarine chloride hydrochloride
    • (+)-Tubocurarine chloride hydrate
    • TUBOCURARINE CHLORIDE [MI]
    • Tox21_112039
    • AKOS024457305
    • Tox21_112039_1
    • TUBOCURARINE CHLORIDE [WHO-DD]
    • CCG-212846
    • EBC-102145
    • NCGC00178480-03
    • NS00075403
    • Q27268018
    • 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium chloride--hydrogen chloride (1/1/1)
    • 57-94-3

  • Applications

    Tubocurarine Chloride Anhydrous (CAS 57-94-3) has established but limited applications in pharmaceuticals and scientific research: it is used as a neuromuscular blocking agent in anesthesia and certain surgical settings, serves as a pharmacological tool for studying nicotinic acetylcholine receptors and as a reference in neuropharmacology research, is employed in educational contexts to illustrate neuromuscular transmission and blockade, and is historically recognized as a curare poison used for hunting, with modern handling and use subject to strict regulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.92
    methanol 1.86
    isopropanol 0.94
    water 0.03
    ethyl acetate 4.48
    n-propanol 1.5
    acetone 3.4
    n-butanol 1.27
    acetonitrile 1.18
    DMF 7.76
    toluene 3.24
    isobutanol 1.01
    1,4-dioxane 4.45
    methyl acetate 4.33
    THF 9.79
    2-butanone 4.56
    n-pentanol 1.25
    sec-butanol 1.0
    n-hexane 0.06
    ethylene glycol 1.2
    NMP 13.1
    cyclohexane 0.11
    DMSO 8.61
    n-butyl acetate 2.77
    n-octanol 1.18
    chloroform 33.53
    n-propyl acetate 2.98
    acetic acid 14.0
    dichloromethane 18.84
    cyclohexanone 8.07
    propylene glycol 1.3
    isopropyl acetate 3.19
    DMAc 15.57
    2-ethoxyethanol 4.68
    isopentanol 1.17
    n-heptane 0.11
    ethyl formate 4.34
    1,2-dichloroethane 6.41
    n-hexanol 1.19
    2-methoxyethanol 5.88
    isobutyl acetate 1.97
    tetrachloromethane 3.46
    n-pentyl acetate 4.5
    transcutol 10.4
    n-heptanol 1.54
    ethylbenzene 1.03
    MIBK 2.63
    2-propoxyethanol 6.85
    tert-butanol 1.03
    MTBE 0.97
    2-butoxyethanol 5.65
    propionic acid 5.68
    o-xylene 1.68
    formic acid 6.07
    diethyl ether 1.34
    m-xylene 1.96
    p-xylene 1.19
    chlorobenzene 5.21
    dimethyl carbonate 7.27
    n-octane 0.07
    formamide 5.64
    cyclopentanone 11.41
    2-pentanone 4.0
    anisole 2.52
    cyclopentyl methyl ether 3.46
    gamma-butyrolactone 15.93
    1-methoxy-2-propanol 5.44
    pyridine 8.4
    3-pentanone 3.53
    furfural 17.69
    n-dodecane 0.06
    diethylene glycol 5.66
    diisopropyl ether 0.46
    tert-amyl alcohol 1.06
    acetylacetone 6.9
    n-hexadecane 0.06
    acetophenone 4.49
    methyl propionate 5.91
    isopentyl acetate 2.72
    trichloroethylene 28.49
    n-nonanol 1.44
    cyclohexanol 1.56
    benzyl alcohol 3.93
    2-ethylhexanol 1.05
    isooctanol 1.46
    dipropyl ether 1.3
    1,2-dichlorobenzene 5.42
    ethyl lactate 3.74
    propylene carbonate 9.4
    n-methylformamide 5.07
    2-pentanol 0.9
    n-pentane 0.08
    1-propoxy-2-propanol 4.74
    1-methoxy-2-propyl acetate 6.47
    2-(2-methoxypropoxy) propanol 5.07
    mesitylene 0.89
    ε-caprolactone 8.91
    p-cymene 0.9
    epichlorohydrin 15.72
    1,1,1-trichloroethane 7.65
    2-aminoethanol 1.74
    morpholine-4-carbaldehyde 12.98
    sulfolane 20.97
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 3.41
    n-hexyl acetate 3.6
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 6.18
    sec-butyl acetate 2.06
    tert-butyl acetate 2.86
    decalin 0.09
    glycerin 3.86
    diglyme 10.62
    acrylic acid 9.22
    isopropyl myristate 1.33
    n-butyric acid 7.19
    acetyl acetate 5.85
    di(2-ethylhexyl) phthalate 2.81
    ethyl propionate 3.08
    nitromethane 15.84
    1,2-diethoxyethane 2.95
    benzonitrile 3.72
    trioctyl phosphate 1.84
    1-bromopropane 2.47
    gamma-valerolactone 20.64
    n-decanol 0.92
    triethyl phosphate 2.18
    4-methyl-2-pentanol 0.78
    propionitrile 1.79
    vinylene carbonate 13.3
    1,1,2-trichlorotrifluoroethane 32.07
    DMS 5.42
    cumene 0.69
    2-octanol 1.05
    2-hexanone 2.68
    octyl acetate 1.98
    limonene 0.98
    1,2-dimethoxyethane 5.31
    ethyl orthosilicate 2.04
    tributyl phosphate 1.82
    diacetone alcohol 4.84
    N,N-dimethylaniline 2.01
    acrylonitrile 3.61
    aniline 4.24
    1,3-propanediol 2.61
    bromobenzene 5.37
    dibromomethane 9.33
    1,1,2,2-tetrachloroethane 20.37
    2-methyl-cyclohexyl acetate 2.86
    tetrabutyl urea 2.45
    diisobutyl methanol 0.64
    2-phenylethanol 3.83
    styrene 1.3
    dioctyl adipate 2.48
    dimethyl sulfate 13.81
    ethyl butyrate 2.54
    methyl lactate 7.28
    butyl lactate 5.38
    diethyl carbonate 2.18
    propanediol butyl ether 4.74
    triethyl orthoformate 2.58
    p-tert-butyltoluene 0.86
    methyl 4-tert-butylbenzoate 5.91
    morpholine 4.92
    tert-butylamine 0.44
    n-dodecanol 0.59
    dimethoxymethane 7.36
    ethylene carbonate 9.0
    cyrene 8.17
    2-ethoxyethyl acetate 7.62
    2-ethylhexyl acetate 2.26
    1,2,4-trichlorobenzene 8.22
    4-methylpyridine 6.55
    dibutyl ether 0.92
    2,6-dimethyl-4-heptanol 0.64
    DEF 5.14
    dimethyl isosorbide 9.21
    tetrachloroethylene 14.37
    eugenol 5.68
    triacetin 6.41
    span 80 4.91
    1,4-butanediol 1.31
    1,1-dichloroethane 6.08
    2-methyl-1-pentanol 1.26
    methyl formate 5.95
    2-methyl-1-butanol 1.15
    n-decane 0.11
    butyronitrile 1.5
    3,7-dimethyl-1-octanol 1.15
    1-chlorooctane 0.59
    1-chlorotetradecane 0.23
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.08
    cyclooctane 0.07
    cyclopentanol 2.01
    tetrahydropyran 2.77
    tert-amyl methyl ether 1.12
    2,5,8-trioxanonane 7.17
    1-hexene 0.28
    2-isopropoxyethanol 3.43
    2,2,2-trifluoroethanol 7.99
    methyl butyrate 3.58

    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