Nifedipine

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  • Identifiers

    CAS number
    21829-25-4

    Molecular formula
    C17H18N2O6

    SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 48.78%
    Grape 38.53%
    Sweet 30.8%
    Floral 29.15%
    Fruity 28.34%
    Citrus 23.46%
    Neroli 21.63%
    Winey 21.24%
    Caramellic 20.92%
    Nutty 20.92%

     

    Flavor
    Bitter 71.49%
    Odorless 35.39%
    Very mild 23.58%
    Bland 20.4%
    Orange flower 19.9%
    Nitrile 19.76%
    Sweet-like 19.46%
    Heather 19.44%
    Broom 19.43%
    Taco 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.96 (neutral)

    Molecular weight
    346.3 g/mol

    Melting point expt.

    • 342 to 345 °F (NTP, 1992)
    • 172-174 °C
    • 172 - 174 °C

    Flash point

    • 223.07 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 67.1 °F (NTP, 1992)
    • Insoluble
    • Solubility at 20 °C (g/L): acetone 250, methylene chloride 160, chloroform 140, ethyl acetate 50, methanol 26, ethanol 17
    • In water, 1.7X10-5 mol/L = 5.9 mg/L at 25 °C
    • 1.77e-02 g/L

  • Synonyms

    • nifedipine
    • 21829-25-4
    • Adalat
    • Procardia
    • Procardia XL
    • Adalat CC
    • Fenihidine
    • Citilat
    • Cordipin
    • Corinfar
    • Oxcord
    • Coracten
    • Fenihidin
    • Afeditab CR
    • dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • Bay-a-1040
    • Nifediac
    • Nifedipino
    • Nifedipinum
    • Adalate
    • Adapine
    • Nifedical
    • Afeditab
    • Cordafen
    • Cordaflex
    • Corynphar
    • Hexadilat
    • Introcar
    • Kordafen
    • Nifecard
    • Nifedipres
    • Tibricol
    • Anifed
    • Glopir
    • Nifecor
    • Nifedin
    • Nifelat
    • Pidilat
    • Sepamit
    • Zenusin
    • Orix
    • Adipine XL
    • 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
    • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
    • Adalat LA
    • BAY A 1040
    • Nifedical XL
    • MFCD00057326
    • Nifedipine slow release
    • CCRIS 6074
    • CHEBI:7565
    • Nifedipinum [INN-Latin]
    • Nifedipino [INN-Spanish]
    • I9ZF7L6G2L
    • NSC-757242
    • 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • DTXSID2025715
    • EINECS 244-598-3
    • CHEMBL193
    • UNII-I9ZF7L6G2L
    • BRN 0497773
    • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate
    • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
    • MLS000028521
    • DTXCID205715
    • BAY-a 1040
    • HSDB 7775
    • 4-(2'-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
    • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
    • NSC 757242
    • NCGC00015748-11
    • Chronadalate
    • Dignokonstant
    • Niphedipine
    • Adapress
    • Aldipin
    • Alfadal
    • Angipec
    • Aprical
    • Bonacid
    • Calcibloc
    • Calcigard
    • Calcilat
    • Cardifen
    • Cardilat
    • Cardionorm
    • Cordalat
    • Cordicant
    • Cordilan
    • Corotrend
    • Dilafed
    • Dipinkor
    • Duranifin
    • Ecodipi
    • Ecodipin
    • Fenamon
    • Hadipin
    • Macorel
    • Megalat
    • Myogard
    • Nifedicor
    • Nifelan
    • Nificard
    • SMR000058291
    • Alonix
    • Anpine
    • Camont
    • Fedcor
    • Depin
    • Alat
    • Adalat Retard
    • CAS-21829-25-4
    • Fedcor Retard
    • Adalat Crono
    • Chronadalate LP
    • Nifedipinum (INN-Latin)
    • Adalat Oros
    • Ecodipin E
    • Apo-Nifed
    • Nifedipino (INN-Spanish)
    • Nifensar XL
    • Alonix S
    • Fenamon SR
    • Adalat CR
    • Adalat FT
    • Adalat LP
    • Adalat PA
    • NIFEDIPINE (MART.)

  • Applications

    Nifedipine, CAS 21829-25-4, is primarily used in pharmaceutical manufacturing as an active pharmaceutical ingredient for dihydropyridine calcium channel blocker medications targeting cardiovascular conditions; in research settings it serves as a tool compound for studies of calcium channel blockade; in analytical laboratories it is employed as a reference material for method development and quality control of related drug products; and it is often considered a starting point or anchor in the synthesis of related dihydropyridine derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.33
    methanol 12.66
    isopropanol 7.16
    water 0.06
    ethyl acetate 40.22
    n-propanol 7.93
    acetone 57.91
    n-butanol 7.6
    acetonitrile 34.7
    DMF 179.77
    toluene 4.26
    isobutanol 6.33
    1,4-dioxane 28.73
    methyl acetate 42.59
    THF 62.92
    2-butanone 45.04
    n-pentanol 6.0
    sec-butanol 8.33
    n-hexane 0.28
    ethylene glycol 5.46
    NMP 237.25
    cyclohexane 0.26
    DMSO 130.51
    n-butyl acetate 14.61
    n-octanol 1.51
    chloroform 69.72
    n-propyl acetate 14.94
    acetic acid 46.45
    dichloromethane 85.42
    cyclohexanone 58.5
    propylene glycol 6.52
    isopropyl acetate 18.26
    DMAc 202.17
    2-ethoxyethanol 23.12
    isopentanol 6.79
    n-heptane 0.17
    ethyl formate 25.23
    1,2-dichloroethane 53.08
    n-hexanol 5.13
    2-methoxyethanol 42.39
    isobutyl acetate 5.56
    tetrachloromethane 5.8
    n-pentyl acetate 9.28
    transcutol 27.83
    n-heptanol 3.06
    ethylbenzene 2.79
    MIBK 14.93
    2-propoxyethanol 28.87
    tert-butanol 8.98
    MTBE 6.76
    2-butoxyethanol 13.53
    propionic acid 27.96
    o-xylene 4.63
    formic acid 31.6
    diethyl ether 10.91
    m-xylene 3.44
    p-xylene 3.65
    chlorobenzene 14.26
    dimethyl carbonate 51.1
    n-octane 0.07
    formamide 60.34
    cyclopentanone 96.65
    2-pentanone 35.84
    anisole 11.25
    cyclopentyl methyl ether 17.94
    gamma-butyrolactone 126.9
    1-methoxy-2-propanol 34.82
    pyridine 39.62
    3-pentanone 32.85
    furfural 99.74
    n-dodecane 0.06
    diethylene glycol 27.4
    diisopropyl ether 2.16
    tert-amyl alcohol 10.07
    acetylacetone 60.08
    n-hexadecane 0.08
    acetophenone 22.33
    methyl propionate 52.36
    isopentyl acetate 10.81
    trichloroethylene 120.46
    n-nonanol 1.82
    cyclohexanol 8.88
    benzyl alcohol 14.77
    2-ethylhexanol 3.72
    isooctanol 2.58
    dipropyl ether 4.65
    1,2-dichlorobenzene 18.16
    ethyl lactate 16.77
    propylene carbonate 53.41
    n-methylformamide 71.74
    2-pentanol 5.48
    n-pentane 0.26
    1-propoxy-2-propanol 17.62
    1-methoxy-2-propyl acetate 28.73
    2-(2-methoxypropoxy) propanol 18.73
    mesitylene 2.04
    ε-caprolactone 51.4
    p-cymene 2.38
    epichlorohydrin 115.17
    1,1,1-trichloroethane 27.32
    2-aminoethanol 8.84
    morpholine-4-carbaldehyde 127.74
    sulfolane 180.61
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 30.58
    n-hexyl acetate 9.16
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 14.98
    sec-butyl acetate 8.27
    tert-butyl acetate 15.47
    decalin 0.33
    glycerin 21.26
    diglyme 37.91
    acrylic acid 39.66
    isopropyl myristate 3.29
    n-butyric acid 28.48
    acetyl acetate 29.79
    di(2-ethylhexyl) phthalate 8.1
    ethyl propionate 20.65
    nitromethane 159.01
    1,2-diethoxyethane 9.77
    benzonitrile 16.86
    trioctyl phosphate 4.86
    1-bromopropane 12.81
    gamma-valerolactone 122.69
    n-decanol 1.29
    triethyl phosphate 11.26
    4-methyl-2-pentanol 3.28
    propionitrile 19.5
    vinylene carbonate 53.19
    1,1,2-trichlorotrifluoroethane 108.32
    DMS 26.96
    cumene 2.16
    2-octanol 1.51
    2-hexanone 17.17
    octyl acetate 5.11
    limonene 3.38
    1,2-dimethoxyethane 39.4
    ethyl orthosilicate 8.61
    tributyl phosphate 6.32
    diacetone alcohol 27.36
    N,N-dimethylaniline 10.49
    acrylonitrile 37.2
    aniline 15.28
    1,3-propanediol 12.52
    bromobenzene 11.31
    dibromomethane 38.81
    1,1,2,2-tetrachloroethane 79.57
    2-methyl-cyclohexyl acetate 11.82
    tetrabutyl urea 10.46
    diisobutyl methanol 2.19
    2-phenylethanol 14.28
    styrene 3.46
    dioctyl adipate 8.68
    dimethyl sulfate 107.77
    ethyl butyrate 13.36
    methyl lactate 42.62
    butyl lactate 11.73
    diethyl carbonate 11.19
    propanediol butyl ether 9.63
    triethyl orthoformate 9.77
    p-tert-butyltoluene 2.17
    methyl 4-tert-butylbenzoate 20.67
    morpholine 40.88
    tert-butylamine 3.57
    n-dodecanol 0.92
    dimethoxymethane 68.73
    ethylene carbonate 38.85
    cyrene 41.64
    2-ethoxyethyl acetate 19.77
    2-ethylhexyl acetate 9.06
    1,2,4-trichlorobenzene 25.16
    4-methylpyridine 36.98
    dibutyl ether 2.16
    2,6-dimethyl-4-heptanol 2.19
    DEF 68.77
    dimethyl isosorbide 38.04
    tetrachloroethylene 46.11
    eugenol 19.27
    triacetin 20.54
    span 80 13.16
    1,4-butanediol 6.12
    1,1-dichloroethane 32.14
    2-methyl-1-pentanol 6.4
    methyl formate 63.2
    2-methyl-1-butanol 7.94
    n-decane 0.11
    butyronitrile 15.52
    3,7-dimethyl-1-octanol 2.1
    1-chlorooctane 1.03
    1-chlorotetradecane 0.42
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.28
    cyclooctane 0.11
    cyclopentanol 13.53
    tetrahydropyran 15.78
    tert-amyl methyl ether 8.41
    2,5,8-trioxanonane 27.1
    1-hexene 1.67
    2-isopropoxyethanol 14.74
    2,2,2-trifluoroethanol 41.0
    methyl butyrate 25.35

    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