Terconazole

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  • Identifiers

    CAS number
    67915-31-5

    Molecular formula
    C26H31Cl2N5O3

    SMILES
    CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 46.98%
    Roasted 29.72%
    Animal 28.29%
    Savory 23.2%
    Nutty 22.98%
    Meaty 22.64%
    Cooked 22.6%
    Sweet 20.91%
    Popcorn 18.85%
    Burnt 18.63%

     

    Flavor
    Bitter 79.59%
    Odorless 23.94%
    Bland 21.63%
    Sweet-like 20.93%
    Cedarleaf 20.68%
    Cereal 19.85%
    Roasted 19.45%
    Scallion 19.41%
    Very strong 19.33%
    Carrot 19.25%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.97 (neutral)

    Molecular weight
    532.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    839°C

    Melting point expt.

    • 126.3 °C

    Flash point

    • 257.51 ˚C est.

    Solubility expt.

    • 1.16e-02 g/L

  • Synonyms

    • terconazole
    • 67915-31-5
    • Fungistat
    • Triaconazole
    • Terazol 7
    • Terconazol
    • Tercospor
    • Terazol 3
    • termayazole
    • Terconazolum
    • 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
    • DTXSID2045498
    • R 42470
    • DTXCID0025498
    • CHEBI:82980
    • R-42470
    • Piperazine,1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-
    • R 42,470
    • NSC-331942
    • 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
    • 1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-rel-piperazine
    • TERCONAZOLE (MART.)
    • TERCONAZOLE (USP-RS)
    • R-42,470
    • terconazolo
    • Panlomyc
    • TERCONAZOLE (EP MONOGRAPH)
    • TERCONAZOLE (USP MONOGRAPH)
    • NSC331942
    • NCGC00016912-01
    • Terconazole; 1-[4-[[(2RS,4SR)-2-(2,4-Dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine
    • CAS-67915-31-5
    • MFCD05662369
    • Terazol 3 (TN)
    • R42470
    • Terconazole (Standard)
    • (2R,4S)-terconazole
    • Terconazole (USP/INN)
    • Prestwick3_000495
    • CHEMBL1306
    • SCHEMBL23165
    • BSPBio_000389
    • 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine
    • MLS002153844
    • BIDD:GT0705
    • BPBio1_000429
    • CHEBI:9451
    • TerconazoleVaginal Cream 0.8%
    • HY-B1790R
    • G01AG02
    • BLSQLHNBWJLIBQ-OZXSUGGESA-N
    • GLXC-20404
    • HMS2096D11
    • HMS2233C22
    • HMS3713D11
    • Pharmakon1600-01503847
    • HY-B1790
    • PIPERAZINE, 1-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-4-(1-METHYLETHYL)-, CIS
    • Tox21_110679
    • BDBM50375318
    • NSC760361
    • s5033
    • AKOS016846147
    • CCG-213216
    • CS-6456
    • DB00251
    • FT35141
    • KS-1463
    • NSC-760361
    • NCGC00179575-01
    • AS-14153
    • DA-78327
    • SMR001233206
    • AB00513849
    • NS00009370
    • C08080
    • C76152
    • D00888
    • AB00513849_07
    • EN300-20600044
    • SR-01000841196
    • Q7701687
    • SR-01000841196-2
    • BRD-K86204871-001-02-2
    • BRD-K86204871-001-13-9
    • BRD-K86204871-001-16-2
    • 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
    • 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
    • 172587-59-6
    • 267-751-6
    • rac-1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine

  • Applications

    Terconazole (CAS 67915-31-5) is a triazole antifungal agent used as the active pharmaceutical ingredient in prescription topical antifungal products and vaginal formulations. It is formulated into creams, ointments, and gels for the treatment of dermatophyte and Candida infections of the skin, as well as vaginal creams and suppositories for candidiasis. It is commonly supplied to healthcare providers by pharmaceutical manufacturers and may be used in compounding pharmacies. In addition to patient care, terconazole is evaluated in pharmaceutical development for formulation optimization, stability testing, and analytical method development of topical dosage forms.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.66
    methanol 17.11
    isopropanol 6.99
    water 0.03
    ethyl acetate 48.23
    n-propanol 21.32
    acetone 38.7
    n-butanol 11.44
    acetonitrile 18.51
    DMF 121.92
    toluene 22.34
    isobutanol 12.25
    1,4-dioxane 60.52
    methyl acetate 62.92
    THF 123.3
    2-butanone 71.54
    n-pentanol 10.77
    sec-butanol 11.77
    n-hexane 0.16
    ethylene glycol 5.66
    NMP 194.27
    cyclohexane 0.79
    DMSO 61.62
    n-butyl acetate 19.59
    n-octanol 4.56
    chloroform 1089.97
    n-propyl acetate 28.73
    acetic acid 92.24
    dichloromethane 1015.25
    cyclohexanone 109.92
    propylene glycol 10.24
    isopropyl acetate 21.7
    DMAc 300.32
    2-ethoxyethanol 48.6
    isopentanol 8.07
    n-heptane 0.32
    ethyl formate 51.8
    1,2-dichloroethane 219.27
    n-hexanol 4.9
    2-methoxyethanol 61.32
    isobutyl acetate 16.1
    tetrachloromethane 38.79
    n-pentyl acetate 22.76
    transcutol 70.79
    n-heptanol 5.05
    ethylbenzene 5.02
    MIBK 14.16
    2-propoxyethanol 38.12
    tert-butanol 4.92
    MTBE 8.14
    2-butoxyethanol 26.6
    propionic acid 47.97
    o-xylene 9.11
    formic acid 45.48
    diethyl ether 9.39
    m-xylene 7.37
    p-xylene 8.32
    chlorobenzene 76.26
    dimethyl carbonate 50.85
    n-octane 0.15
    formamide 53.62
    cyclopentanone 127.92
    2-pentanone 34.49
    anisole 22.82
    cyclopentyl methyl ether 32.15
    gamma-butyrolactone 198.74
    1-methoxy-2-propanol 37.31
    pyridine 155.18
    3-pentanone 35.55
    furfural 193.24
    n-dodecane 0.19
    diethylene glycol 24.52
    diisopropyl ether 1.76
    tert-amyl alcohol 8.03
    acetylacetone 57.52
    n-hexadecane 0.23
    acetophenone 41.07
    methyl propionate 66.19
    isopentyl acetate 15.88
    trichloroethylene 850.76
    n-nonanol 5.19
    cyclohexanol 15.83
    benzyl alcohol 32.74
    2-ethylhexanol 3.94
    isooctanol 4.65
    dipropyl ether 6.83
    1,2-dichlorobenzene 68.69
    ethyl lactate 22.41
    propylene carbonate 100.05
    n-methylformamide 77.01
    2-pentanol 4.9
    n-pentane 0.24
    1-propoxy-2-propanol 23.25
    1-methoxy-2-propyl acetate 39.7
    2-(2-methoxypropoxy) propanol 29.48
    mesitylene 2.69
    ε-caprolactone 123.83
    p-cymene 3.29
    epichlorohydrin 354.88
    1,1,1-trichloroethane 150.26
    2-aminoethanol 15.46
    morpholine-4-carbaldehyde 165.65
    sulfolane 144.65
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 64.02
    n-hexyl acetate 18.73
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 32.74
    sec-butyl acetate 14.99
    tert-butyl acetate 15.37
    decalin 0.37
    glycerin 18.93
    diglyme 76.05
    acrylic acid 61.01
    isopropyl myristate 5.87
    n-butyric acid 58.2
    acetyl acetate 46.19
    di(2-ethylhexyl) phthalate 12.59
    ethyl propionate 24.99
    nitromethane 173.24
    1,2-diethoxyethane 22.3
    benzonitrile 40.12
    trioctyl phosphate 6.44
    1-bromopropane 53.27
    gamma-valerolactone 243.08
    n-decanol 3.5
    triethyl phosphate 14.37
    4-methyl-2-pentanol 2.93
    propionitrile 21.98
    vinylene carbonate 128.88
    1,1,2-trichlorotrifluoroethane 313.19
    DMS 30.76
    cumene 2.71
    2-octanol 3.13
    2-hexanone 23.62
    octyl acetate 10.11
    limonene 4.6
    1,2-dimethoxyethane 63.93
    ethyl orthosilicate 12.08
    tributyl phosphate 8.48
    diacetone alcohol 22.66
    N,N-dimethylaniline 13.34
    acrylonitrile 46.98
    aniline 39.16
    1,3-propanediol 19.69
    bromobenzene 84.43
    dibromomethane 361.93
    1,1,2,2-tetrachloroethane 482.62
    2-methyl-cyclohexyl acetate 16.5
    tetrabutyl urea 12.96
    diisobutyl methanol 1.95
    2-phenylethanol 19.29
    styrene 8.92
    dioctyl adipate 15.75
    dimethyl sulfate 88.66
    ethyl butyrate 18.56
    methyl lactate 40.71
    butyl lactate 22.07
    diethyl carbonate 15.74
    propanediol butyl ether 18.98
    triethyl orthoformate 17.33
    p-tert-butyltoluene 2.76
    methyl 4-tert-butylbenzoate 27.01
    morpholine 103.12
    tert-butylamine 1.85
    n-dodecanol 2.37
    dimethoxymethane 70.78
    ethylene carbonate 92.17
    cyrene 55.82
    2-ethoxyethyl acetate 49.01
    2-ethylhexyl acetate 14.28
    1,2,4-trichlorobenzene 112.72
    4-methylpyridine 101.49
    dibutyl ether 5.49
    2,6-dimethyl-4-heptanol 1.95
    DEF 71.02
    dimethyl isosorbide 57.63
    tetrachloroethylene 252.26
    eugenol 29.28
    triacetin 42.08
    span 80 22.04
    1,4-butanediol 10.07
    1,1-dichloroethane 186.57
    2-methyl-1-pentanol 8.63
    methyl formate 67.74
    2-methyl-1-butanol 11.55
    n-decane 0.34
    butyronitrile 16.8
    3,7-dimethyl-1-octanol 4.34
    1-chlorooctane 3.16
    1-chlorotetradecane 1.06
    n-nonane 0.25
    undecane 0.25
    tert-butylcyclohexane 0.24
    cyclooctane 0.22
    cyclopentanol 28.21
    tetrahydropyran 51.1
    tert-amyl methyl ether 9.34
    2,5,8-trioxanonane 49.46
    1-hexene 1.46
    2-isopropoxyethanol 27.59
    2,2,2-trifluoroethanol 60.95
    methyl butyrate 39.25

    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