loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Doconazole, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Doconazole

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Doconazole, 59831-63-9, Vr021vc9ty, Cis-1-((4-((4-biphenyloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)imidazole, R-34000, R 34,000
    Molecular Formula
    C26H22Cl2N2O3
    Molecular Weight
    481.4  g/mol
    InChI Key
    GNZHVEIGGFMLSP-OZXSUGGESA-N
    FDA UNII
    VR021VC9TY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
    2.1.2 InChI
    InChI=1S/C26H22Cl2N2O3/c27-21-8-11-24(25(28)14-21)26(17-30-13-12-29-18-30)32-16-23(33-26)15-31-22-9-6-20(7-10-22)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23-,26-/m0/s1
    2.1.3 InChI Key
    GNZHVEIGGFMLSP-OZXSUGGESA-N
    2.1.4 Canonical SMILES
    C1C(OC(O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=CC=C5
    2.1.5 Isomeric SMILES
    C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    VR021VC9TY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. R 34000

    2.3.2 Depositor-Supplied Synonyms

    1. Doconazole

    2. 59831-63-9

    3. Vr021vc9ty

    4. Cis-1-((4-((4-biphenyloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)imidazole

    5. R-34000

    6. R 34,000

    7. Doconazolum

    8. 1-[[(2r,4s)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole

    9. 1h-imidazole, 1-((4-(((1,1'-biphenyl)-4-yloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-, Cis-

    10. Cis-1-((4-(((1,1'-biphenyl)-4-yloxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1h-imidazole

    11. Doconazole [usan:inn]

    12. Doconazol [inn-spanish]

    13. Doconazolum [inn-latin]

    14. Unii-vr021vc9ty

    15. Doconazole [inn]

    16. Doconazole (usan/inn)

    17. Doconazole [usan]

    18. (+/-)-doconazole

    19. Schembl397971

    20. Doconazole, (+/-)-

    21. Chebi:177755

    22. Dtxsid701024238

    23. Zinc607832

    24. D03883

    25. R 34000

    26. Q27291971

    27. 1-[[4beta-[(4-biphenylyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2beta-yl]methyl]-1h-imidazole

    2.4 Create Date
    2007-02-28
    3 Chemical and Physical Properties
    Molecular Weight 481.4 g/mol
    Molecular Formula C26H22Cl2N2O3
    XLogP36.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass480.1007480 g/mol
    Monoisotopic Mass480.1007480 g/mol
    Topological Polar Surface Area45.5 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity614
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY