Digoxin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20830-75-5

    Molecular formula
    C41H64O14

    SMILES
    C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 55.48%
    Sweet 32.63%
    Woody 26.06%
    Vanilla 23.31%
    Milky 21.61%
    Spicy 21.3%
    Mint 20.98%
    Cooling 20.9%
    Creamy 20.55%
    Lactonic 17.49%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    780.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 446 to 509 °F Decomposes. (EPA, 1998)
    • 230-265
    • 249 °C (decomposes)
    • MP: Approximately 235 °C (decomposes)
    • MP: 230-265 °C
    • Crystals. MP: 227-231 °C /beta-Methyldigoxin/
    • 249 °C

    Boiling point

    • 931.6 undefined

    Flash point est.
    238.35 ˚C

    Solubility expt.

    • 64.8 mg/L (at 25 °C)
    • Cardiac glycosides have a characteristic ring structure known as an aglycone (orgenin) coupled with one or more types of sugars. The aglycone portion of the glycoside consists of a steroid nucleus (cyclopentanoperhydrophenanthrene nucleus) and an alpha,beta-unsaturated 5- or 6-membered lactone ring at the C17 position of the steroid nucleus. A beta-oriented hydroxyl substitution is usually present at the C3 and C14 positions. Increasing the number of hydroxyl groups on the aglycone increases polarity and decreases lipid solubility; additional sugars may also increase polarity. The sugar portion of the glycoside is attached to the steroid nucleus, usually through a hydroxyl group at the C3 position. The sugar moiety affects in part the activity of the cardiac glycosides by influencing solubility, absorption, distribution, and toxicity. In general, the cardiac glycosides are sparingly soluble to insoluble in water and freely soluble to slightly soluble in alcohol or diluted alcohol. /Cardiac glycosides/
    • In water, 64.8 mg/L at 25 °C
    • Practically insoluble in water
    • Very soluble in ethanol
    • Freely soluble in pyridine; soluble in mixture of chloroform and alcohol. More soluble in hot 80% alcohol than gitoxin. Slightly soluble in dilute alcohol, chloroform. Practically insoluble in ether, acetone, ethyl acetate, chloroform
    • For more Solubility (Complete) data for Digoxin (6 total), please visit the HSDB record page.
    • 0.0648 mg/mL at 25 °C

  • Synonyms

    • digoxin
    • 20830-75-5
    • Lanoxin
    • Rougoxin
    • 12beta-Hydroxydigitoxin
    • Digacin
    • Dilanacin
    • Dynamos
    • Vanoxin
    • Digoxine
    • Fargoxin
    • Lanoxicaps
    • Mapluxin
    • Natigoxin
    • Davoxin
    • Digosin
    • Cardiogoxin
    • Cordioxil
    • Digoxina
    • Digoxinum
    • Eudigox
    • Lanacrist
    • Lanocardin
    • Toloxin
    • Stillacor-
    • Neo-Lanicor
    • Digoxin Nativelle
    • Digoxin Pediatric
    • Lanoxin PG
    • SK-Digoxin
    • Homolle's digitalin
    • Hemigoxine Nativelle
    • Coragoxine
    • Lenoxicaps
    • Neodioxanin
    • Acygoxin
    • Cardigox
    • Cardioxin
    • CHEBI:4551
    • Digoksyna
    • Digomal
    • Digonix
    • Digossina
    • Dimecip
    • Lanikor
    • Lanorale
    • Lifusin
    • Purgoxin
    • Saroxin
    • Dixina
    • Grexin
    • Digon
    • Digos
    • Dokim
    • Digoxin-Sandoz
    • Digoxina-Sandoz
    • Digoxin-Zori
    • Digoxine Navtivelle
    • Lenoxin
    • Chloroformic digitalin
    • MLS000069819
    • DTXSID5022934
    • LANOXIN PEDIATRIC
    • Digoxigenin-tridigitoxosid
    • MFCD00003674
    • NSC-95100
    • Lanacordin
    • SMR000059217
    • DTXCID502934
    • HSDB 214
    • 73K4184T59
    • Digitalis glycoside
    • UNII-73K4184T59
    • Novodigal (inj.)
    • Novodigal [inj.]
    • EINECS 244-068-1
    • C41H64O14
    • NSC 95100
    • (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
    • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • BRN 0077011
    • NCGC00090797-03
    • Digoxinum (INN-Latin)
    • Digoxinum [INN-Latin]
    • DIGOXIN (IARC)
    • DIGOXIN [IARC]
    • Digoxina (INN-Spanish)
    • Digoxina [INN-Spanish]
    • DIGOXIN (MART.)
    • DIGOXIN [MART.]
    • DIGOXIN (USP-RS)
    • DIGOXIN [USP-RS]
    • Digoxin, analytical standard
    • 5-18-04-00381 (Beilstein Handbook Reference)
    • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
    • DIGOXIN (EP MONOGRAPH)
    • DIGOXIN [EP MONOGRAPH]
    • DIGOXIN (USP MONOGRAPH)
    • Digoxin (USP:INN:BAN:JAN)
    • DIGOXIN [USP MONOGRAPH]
    • Digoxin [USP:INN:BAN:JAN]
    • Digitek
    • 3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid
    • Lanoxicaps (TN)
    • [3H]digoxin
    • (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
    • 3beta-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide
    • 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one
    • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
    • SMR000653537
    • Lanoxin (TN)
    • [3H]-digoxin
    • Digox
    • NSC95100
    • Digoxinum (Latin)
    • (3beta,5beta,12beta)-3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
    • Prestwick_170
    • Digoksyna [Polish]
    • Digossina [DCIT]
    • CAS-20830-75-5
    • 12A-Hydroxydigitoxin
    • 3b0w
    • DIGOXIN [VANDF]
    • DIGOXIN [HSDB]
    • DIGOXIN [INN]
    • DIGOXIN [JAN]
    • DIGOXIN [MI]
    • Opera_ID_1134

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.97
    methanol 42.78
    isopropanol 4.21
    water 0.09
    ethyl acetate 8.51
    n-propanol 9.27
    acetone 19.2
    n-butanol 4.82
    acetonitrile 5.49
    DMF 79.69
    toluene 1.25
    isobutanol 3.07
    1,4-dioxane 31.49
    methyl acetate 9.48
    THF 74.19
    2-butanone 12.4
    n-pentanol 3.01
    sec-butanol 2.51
    n-hexane 0.03
    ethylene glycol 6.8
    NMP 83.28
    cyclohexane 0.07
    DMSO 144.59
    n-butyl acetate 3.64
    n-octanol 2.07
    chloroform 23.71
    n-propyl acetate 4.26
    acetic acid 83.97
    dichloromethane 21.43
    cyclohexanone 21.46
    propylene glycol 8.02
    isopropyl acetate 4.5
    DMAc 77.29
    2-ethoxyethanol 30.55
    isopentanol 2.29
    n-heptane 0.05
    ethyl formate 12.76
    1,2-dichloroethane 8.18
    n-hexanol 2.25
    2-methoxyethanol 63.73
    isobutyl acetate 2.15
    tetrachloromethane 1.95
    n-pentyl acetate 5.47
    transcutol 28.9
    n-heptanol 2.72
    ethylbenzene 0.49
    MIBK 4.02
    2-propoxyethanol 28.76
    tert-butanol 2.37
    MTBE 1.45
    2-butoxyethanol 19.09
    propionic acid 14.65
    o-xylene 0.71
    formic acid 48.46
    diethyl ether 2.91
    m-xylene 0.69
    p-xylene 0.63
    chlorobenzene 2.88
    dimethyl carbonate 12.01
    n-octane 0.03
    formamide 47.38
    cyclopentanone 44.49
    2-pentanone 8.99
    anisole 3.38
    cyclopentyl methyl ether 6.1
    gamma-butyrolactone 57.82
    1-methoxy-2-propanol 30.72
    pyridine 22.78
    3-pentanone 5.48
    furfural 54.21
    n-dodecane 0.03
    diethylene glycol 26.84
    diisopropyl ether 0.39
    tert-amyl alcohol 1.83
    acetylacetone 19.89
    n-hexadecane 0.03
    acetophenone 5.99
    methyl propionate 10.35
    isopentyl acetate 3.22
    trichloroethylene 26.98
    n-nonanol 2.25
    cyclohexanol 2.37
    benzyl alcohol 6.06
    2-ethylhexanol 0.93
    isooctanol 1.72
    dipropyl ether 1.52
    1,2-dichlorobenzene 2.87
    ethyl lactate 5.68
    propylene carbonate 19.65
    n-methylformamide 48.64
    2-pentanol 1.3
    n-pentane 0.04
    1-propoxy-2-propanol 11.36
    1-methoxy-2-propyl acetate 10.21
    2-(2-methoxypropoxy) propanol 10.47
    mesitylene 0.35
    ε-caprolactone 22.65
    p-cymene 0.4
    epichlorohydrin 57.59
    1,1,1-trichloroethane 4.66
    2-aminoethanol 15.67
    morpholine-4-carbaldehyde 84.92
    sulfolane 90.97
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 11.6
    n-hexyl acetate 5.72
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 17.35
    sec-butyl acetate 2.12
    tert-butyl acetate 3.97
    decalin 0.04
    glycerin 22.93
    diglyme 35.01
    acrylic acid 23.82
    isopropyl myristate 1.22
    n-butyric acid 18.94
    acetyl acetate 10.03
    di(2-ethylhexyl) phthalate 2.96
    ethyl propionate 3.65
    nitromethane 95.85
    1,2-diethoxyethane 4.86
    benzonitrile 4.77
    trioctyl phosphate 2.01
    1-bromopropane 1.84
    gamma-valerolactone 125.52
    n-decanol 1.14
    triethyl phosphate 2.26
    4-methyl-2-pentanol 0.79
    propionitrile 4.01
    vinylene carbonate 25.22
    1,1,2-trichlorotrifluoroethane 68.56
    DMS 5.7
    cumene 0.31
    2-octanol 1.11
    2-hexanone 4.38
    octyl acetate 2.52
    limonene 0.5
    1,2-dimethoxyethane 30.22
    ethyl orthosilicate 1.91
    tributyl phosphate 1.81
    diacetone alcohol 9.74
    N,N-dimethylaniline 2.0
    acrylonitrile 9.11
    aniline 4.03
    1,3-propanediol 21.06
    bromobenzene 2.23
    dibromomethane 7.6
    1,1,2,2-tetrachloroethane 16.57
    2-methyl-cyclohexyl acetate 3.15
    tetrabutyl urea 3.05
    diisobutyl methanol 0.46
    2-phenylethanol 5.21
    styrene 0.66
    dioctyl adipate 3.42
    dimethyl sulfate 26.39
    ethyl butyrate 3.15
    methyl lactate 16.17
    butyl lactate 6.91
    diethyl carbonate 2.12
    propanediol butyl ether 14.53
    triethyl orthoformate 2.93
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 8.09
    morpholine 38.72
    tert-butylamine 0.54
    n-dodecanol 0.59
    dimethoxymethane 39.42
    ethylene carbonate 16.01
    cyrene 20.88
    2-ethoxyethyl acetate 12.71
    2-ethylhexyl acetate 2.2
    1,2,4-trichlorobenzene 4.77
    4-methylpyridine 10.44
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 0.46
    DEF 13.68
    dimethyl isosorbide 19.82
    tetrachloroethylene 11.38
    eugenol 9.32
    triacetin 10.07
    span 80 10.21
    1,4-butanediol 6.89
    1,1-dichloroethane 4.76
    2-methyl-1-pentanol 1.73
    methyl formate 33.8
    2-methyl-1-butanol 2.18
    n-decane 0.06
    butyronitrile 3.35
    3,7-dimethyl-1-octanol 1.08
    1-chlorooctane 0.49
    1-chlorotetradecane 0.12
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 5.42
    tetrahydropyran 9.24
    tert-amyl methyl ether 1.31
    2,5,8-trioxanonane 20.06
    1-hexene 0.19
    2-isopropoxyethanol 11.22
    2,2,2-trifluoroethanol 25.52
    methyl butyrate 5.7

    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