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

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    Deucrictibant

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    DIGITAL CONTENT

    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: Deucrictibant [inn], 69gca2kx22, Pha-121, Unii-69gca2kx22, Phvs-719, Pha-022121
    Molecular Formula
    C25H23ClF3N5O3
    Molecular Weight
    534.9  g/mol
    InChI Key
    ZTCLCSCHTACERP-WTDRUJNCSA-N
    FDA UNII
    69GCA2KX22
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide
    2.1.2 InChI
    InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1/i14D
    2.1.3 InChI Key
    ZTCLCSCHTACERP-WTDRUJNCSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C2C=CC=C(C2=N1)OCC3=C(C=C(C=C3Cl)F)C(C)NC(=O)COC(F)F)C4=NC=NN4C
    2.1.5 Isomeric SMILES
    [2H][C@](C)(C1=C(C(=CC(=C1)F)Cl)COC2=CC=CC3=C(C=C(N=C32)C)C4=NC=NN4C)NC(=O)COC(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    69GCA2KX22
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Deucrictibant [inn]

    2. 69gca2kx22

    3. Pha-121

    4. Unii-69gca2kx22

    5. Phvs-719

    6. Pha-022121

    7. 2340111-58-0

    8. (s)-n-(1-deutero-1-(3-chloro-5-fluoro-2-((2-methyl-4-(1-methyl-1h-1,2,4-triazol-5-yl)quinolin-8-yloxy)methyl)phenyl)ethyl)-2-(difluoromethoxy)acetamide

    9. Acetamide, N-((1s)-1-(3-chloro-5-fluoro-2-(((2-methyl-4-(1-methyl-1h-1,2,4-triazol-5-yl)-8-quinolinyl)oxy)methyl)phenyl)ethyl-1-d)-2-(difluoromethoxy)-

    10. Chembl5095059

    11. Schembl22320140

    12. Gtpl12421

    13. Glxc-26832

    14. Pha022121

    15. Hy-145562

    16. Cs-0376051

    17. N-[(1s)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1h-1,2,4-triazol-5-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2h)ethyl]-2-(difluoromethoxy)acetamide

    18. N-[(1s)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide

    2.4 Create Date
    2020-09-28
    3 Chemical and Physical Properties
    Molecular Weight 534.9 g/mol
    Molecular Formula C25H23ClF3N5O3
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area91.2
    Heavy Atom Count37
    Formal Charge0
    Complexity758
    Isotope Atom Count1
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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