Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    Neticonazole Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 130773-02-3, Atolant, Neticonazole hydrochloride [jan], Neticonazole (hydrochloride), Pkf582zh6p, Ss-717
    Molecular Formula
    C17H23ClN2OS
    Molecular Weight
    338.9  g/mol
    InChI Key
    HAHMABKERDVYCH-ZUQRMPMESA-N
    FDA UNII
    PKF582ZH6P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;
    2.1.3 InChI Key
    HAHMABKERDVYCH-ZUQRMPMESA-N
    2.1.4 Canonical SMILES
    CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2.Cl
    2.1.5 Isomeric SMILES
    CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    PKF582ZH6P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-1h-imidazole

    2. Neticonazole

    3. Ss-717

    4. Ss717

    2.3.2 Depositor-Supplied Synonyms

    1. 130773-02-3

    2. Atolant

    3. Neticonazole Hydrochloride [jan]

    4. Neticonazole (hydrochloride)

    5. Pkf582zh6p

    6. Ss-717

    7. 1-[(e)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride

    8. 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole Hydrochloride

    9. Neticonazole Hydrochloride (jan)

    10. Ss717

    11. Unii-pkf582zh6p

    12. Newral

    13. Atolant (tn)

    14. (e)-(1-(2-pentyloxyphenyl)-1-imidazolyl-2-methylthio)ethylene Hydrochloride

    15. (e)-1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-1h-imidazole Monohydrochloride

    16. Schembl36681

    17. Chebi:31900

    18. (e)-1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)vinyl)-1h-imidazole Hydrochloride

    19. Ss 717

    20. Akos037515631

    21. Ccg-267906

    22. Neticonazole Hydrochloride [mi]

    23. 1h-imidazole, 1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-, Monohydrochloride, (e)-

    24. Bs-15159

    25. Neticonazole Hydrochloride [mart.]

    26. Neticonazole Hydrochloride [who-dd]

    27. Hy-128365

    28. Cs-0099200

    29. S4878

    30. D01620

    31. Q27286599

    32. 1-((e)-1-(2-amoxyphenyl)-2-(methylthio)vinyl)imidazole Hydrochloride

    33. 1-{(e)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazol-3-ium Chloride

    34. 1-{(e)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazole Hydrochloride

    35. 1-{(e)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazol-3-ium Chloride

    36. 1-{(e)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazole Hydrochloride

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 338.9 g/mol
    Molecular Formula C17H23ClN2OS
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass338.1219622 g/mol
    Monoisotopic Mass338.1219622 g/mol
    Topological Polar Surface Area52.4 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity322
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2