Chelerythrine, chloride

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  • Identifiers

    CAS number
    3895-92-9

    Molecular formula
    C21H18ClNO4

    SMILES
    C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 53.33%
    Sweet 43.49%
    Powdery 42.63%
    Phenolic 41.15%
    Spicy 38.69%
    Fruity 35.5%
    Vanilla 34.72%
    Musk 33.99%
    Animal 28.99%
    Woody 26.6%

     

    Flavor
    Bitter 95.81%
    Parsley 18.95%
    Very strong 18.58%
    Cedarleaf 18.22%
    Indole 18.19%
    Eugenol 18.17%
    Sweet-like 17.82%
    Bland 17.56%
    Lovage 17.25%
    Flat 17.17%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.99 (weak acid)

    Molecular weight
    383.8 g/mol

    Flash point

    • 235.51 ˚C est.

  • Synonyms

    • Chelerythrine chloride
    • 3895-92-9
    • Chelerythrine, chloride
    • 7IC98TZ0PZ
    • NSC-36405
    • NSC-646662
    • DTXSID70893481
    • RefChem:575462
    • DTXCID801323497
    • 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride
    • MFCD00060717
    • Chelerythrine hydrochloride
    • 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride
    • Chelerythrine (chloride)
    • 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
    • CHEMBL258893
    • BROUSSONPAPYRINE CHLORIDE
    • 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride
    • 3895-92-9 (chloride); 34316-15-9 (cation).
    • Chelerythrine HCl
    • NSC646662
    • 1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride
    • EINECS 223-444-9
    • NSC 36405
    • UNII-7IC98TZ0PZ
    • Chelerythrine, hydroxide, hydrochloride
    • SR-01000075750
    • Toddalin chloride
    • [1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (1:1); Chelerythrine, chloride (6CI,7CI,8CI); [1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI); Broussonpapyrine chloride; Chelerythrinium chloride; NSC 646662
    • 1,2-DIMETHOXY-12-METHYL-(1,3)DIOXOLO(4',5':4,5)BENZO(1,2-C)PHENANTHRIDIN-12-IUM CHLORIDE
    • Chelerythrine chloride?
    • Chelerythrine chloride CRS
    • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride
    • Chelerythrine, hydrochloride
    • SCHEMBL195109
    • CHELERYTHRINIUM CHLORIDE
    • orb1304218
    • SCHEMBL30207103
    • CHEBI:201466
    • WEEFNMFMNMASJY-UHFFFAOYSA-M
    • HMS3229C07
    • HMS3260B04
    • HMS3672K05
    • NSC36405
    • Chelerythrine (chloride) (Standard)
    • Tox21_500241
    • HY-12048R
    • MSK001548
    • 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride
    • AKOS016010038
    • CCG-206741
    • CS-0205
    • EBC-378047
    • FT65648
    • LP00241
    • 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
    • NCGC00093703-01
    • NCGC00260926-01
    • AC-34993
    • AS-17480
    • HY-12048
    • SY232416
    • DB-049354
    • Chelerythrine Chloride - CAS 3895-92-9
    • EU-0100241
    • NS00046252
    • C 2932
    • SR-01000075750-1
    • Q27268347
    • [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride
    • 1,2-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
    • 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4\',5\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride
    • 17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-21-ium chloride
    • 3895-92-9

  • Applications

    Chelerythrine, chloride (CAS 3895-92-9) is primarily used in life-science research as a potent, selective inhibitor of protein kinase C, providing a tool to study PKC-dependent signaling in cell-based assays. It is also employed as a histochemical dye or label in microscopy and related imaging workflows, where it can participate in staining protocols for cellular components. The compound may be used as a synthetic intermediate or scaffold in alkaloid chemistry and related pharmaceutical research. In addition, it has been evaluated for cytotoxic effects in vitro, contributing to exploratory studies on cancer biology. Depending on the formulation and regulatory context, its use is subject to local regulations and handling guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.24
    methanol 1.13
    isopropanol 0.88
    water 0.02
    ethyl acetate 6.7
    n-propanol 1.15
    acetone 5.8
    n-butanol 1.29
    acetonitrile 3.76
    DMF 7.44
    toluene 2.46
    isobutanol 1.07
    1,4-dioxane 10.96
    methyl acetate 5.78
    THF 14.23
    2-butanone 5.16
    n-pentanol 1.64
    sec-butanol 0.73
    n-hexane 0.2
    ethylene glycol 0.99
    NMP 9.98
    cyclohexane 0.44
    DMSO 10.04
    n-butyl acetate 7.61
    n-octanol 2.09
    chloroform 26.22
    n-propyl acetate 7.99
    acetic acid 7.79
    dichloromethane 34.29
    cyclohexanone 10.98
    propylene glycol 0.19
    isopropyl acetate 5.98
    DMAc 13.64
    2-ethoxyethanol 6.7
    isopentanol 2.03
    n-heptane 0.42
    ethyl formate 5.17
    1,2-dichloroethane 19.55
    n-hexanol 2.64
    2-methoxyethanol 5.98
    isobutyl acetate 7.55
    tetrachloromethane 4.7
    n-pentyl acetate 9.03
    transcutol 14.22
    n-heptanol 3.23
    ethylbenzene 2.55
    MIBK 5.38
    2-propoxyethanol 10.96
    tert-butanol 1.48
    MTBE 1.88
    2-butoxyethanol 9.63
    propionic acid 2.8
    o-xylene 2.57
    formic acid 4.88
    diethyl ether 3.62
    m-xylene 2.4
    p-xylene 3.71
    chlorobenzene 5.63
    dimethyl carbonate 7.93
    n-octane 0.37
    formamide 8.33
    cyclopentanone 12.44
    2-pentanone 4.83
    anisole 5.33
    cyclopentyl methyl ether 5.25
    gamma-butyrolactone 16.83
    1-methoxy-2-propanol 3.28
    pyridine 11.65
    3-pentanone 5.35
    furfural 21.02
    n-dodecane 0.33
    diethylene glycol 10.68
    diisopropyl ether 1.79
    tert-amyl alcohol 1.19
    acetylacetone 10.3
    n-hexadecane 0.4
    acetophenone 9.71
    methyl propionate 5.77
    isopentyl acetate 9.41
    trichloroethylene 37.53
    n-nonanol 2.75
    cyclohexanol 1.81
    benzyl alcohol 5.23
    2-ethylhexanol 3.24
    isooctanol 3.54
    dipropyl ether 4.37
    1,2-dichlorobenzene 9.21
    ethyl lactate 4.27
    propylene carbonate 9.49
    n-methylformamide 4.3
    2-pentanol 0.89
    n-pentane 0.19
    1-propoxy-2-propanol 5.98
    1-methoxy-2-propyl acetate 11.49
    2-(2-methoxypropoxy) propanol 8.22
    mesitylene 1.92
    ε-caprolactone 11.02
    p-cymene 3.68
    epichlorohydrin 26.49
    1,1,1-trichloroethane 11.84
    2-aminoethanol 0.98
    morpholine-4-carbaldehyde 17.07
    sulfolane 17.58
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 6.24
    n-hexyl acetate 7.2
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 9.12
    sec-butyl acetate 6.06
    tert-butyl acetate 7.08
    decalin 0.52
    glycerin 1.28
    diglyme 23.75
    acrylic acid 4.39
    isopropyl myristate 4.01
    n-butyric acid 4.44
    acetyl acetate 9.1
    di(2-ethylhexyl) phthalate 5.17
    ethyl propionate 7.29
    nitromethane 16.66
    1,2-diethoxyethane 8.69
    benzonitrile 7.55
    trioctyl phosphate 3.81
    1-bromopropane 5.05
    gamma-valerolactone 20.23
    n-decanol 2.12
    triethyl phosphate 7.95
    4-methyl-2-pentanol 1.35
    propionitrile 4.26
    vinylene carbonate 12.71
    1,1,2-trichlorotrifluoroethane 22.16
    DMS 10.16
    cumene 2.68
    2-octanol 2.02
    2-hexanone 6.83
    octyl acetate 4.61
    limonene 3.31
    1,2-dimethoxyethane 14.2
    ethyl orthosilicate 7.36
    tributyl phosphate 4.5
    diacetone alcohol 6.19
    N,N-dimethylaniline 4.86
    acrylonitrile 6.86
    aniline 3.42
    1,3-propanediol 2.18
    bromobenzene 6.14
    dibromomethane 17.4
    1,1,2,2-tetrachloroethane 21.67
    2-methyl-cyclohexyl acetate 10.1
    tetrabutyl urea 6.6
    diisobutyl methanol 2.51
    2-phenylethanol 8.12
    styrene 2.48
    dioctyl adipate 6.43
    dimethyl sulfate 13.11
    ethyl butyrate 7.83
    methyl lactate 3.35
    butyl lactate 5.85
    diethyl carbonate 7.89
    propanediol butyl ether 3.34
    triethyl orthoformate 7.81
    p-tert-butyltoluene 2.96
    methyl 4-tert-butylbenzoate 11.29
    morpholine 8.0
    tert-butylamine 0.88
    n-dodecanol 1.71
    dimethoxymethane 10.71
    ethylene carbonate 10.13
    cyrene 11.55
    2-ethoxyethyl acetate 14.65
    2-ethylhexyl acetate 8.16
    1,2,4-trichlorobenzene 10.66
    4-methylpyridine 7.09
    dibutyl ether 3.43
    2,6-dimethyl-4-heptanol 2.51
    DEF 7.72
    dimethyl isosorbide 19.04
    tetrachloroethylene 21.17
    eugenol 11.6
    triacetin 10.72
    span 80 5.22
    1,4-butanediol 1.22
    1,1-dichloroethane 8.24
    2-methyl-1-pentanol 2.33
    methyl formate 5.32
    2-methyl-1-butanol 1.45
    n-decane 0.56
    butyronitrile 3.39
    3,7-dimethyl-1-octanol 2.64
    1-chlorooctane 2.13
    1-chlorotetradecane 1.1
    n-nonane 0.43
    undecane 0.41
    tert-butylcyclohexane 0.4
    cyclooctane 0.23
    cyclopentanol 1.78
    tetrahydropyran 5.42
    tert-amyl methyl ether 1.97
    2,5,8-trioxanonane 16.8
    1-hexene 0.85
    2-isopropoxyethanol 6.07
    2,2,2-trifluoroethanol 7.47
    methyl butyrate 7.64

    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