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    Lorundrostat

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 247,857Xls

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    2D Structure
    Also known as: Lorundrostat [inn], Ka8w5lds6z, 1-piperazineacetamide, n-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-, 1820940-17-7, N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-1-piperazineacetamide, N-(trans-4-acetamidocyclohexyl)-2-(4-(5-(4- methylphenyl)-1,2,4-triazin-3-yl)piperazin-1- yl)acetamide
    Molecular Formula
    C24H33N7O2
    Molecular Weight
    451.6  g/mol
    InChI Key
    YHGVDZULVMINCJ-UHFFFAOYSA-N
    FDA UNII
    KA8W5LDS6Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-acetamidocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
    2.1.2 InChI
    InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)
    2.1.3 InChI Key
    YHGVDZULVMINCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)CC(=O)NC4CCC(CC4)NC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    KA8W5LDS6Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Lorundrostat [inn]

    2. Ka8w5lds6z

    3. 1-piperazineacetamide, N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-

    4. 1820940-17-7

    5. N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-1-piperazineacetamide

    6. N-(trans-4-acetamidocyclohexyl)-2-(4-(5-(4- Methylphenyl)-1,2,4-triazin-3-yl)piperazin-1- Yl)acetamide

    7. N-(trans-4-acetamidocyclohexyl)-2-{4-[5-(4- Methylphenyl)-1,2,4-triazin-3-yl]piperazin-1- Yl}acetamide

    8. Unii-ka8w5lds6z

    9. Schembl18489931

    10. Bdbm280280

    11. Us10029993, Example 48

    12. Hy-147277

    13. Cs-0542644

    2.4 Create Date
    2017-04-22
    3 Chemical and Physical Properties
    Molecular Weight 451.6 g/mol
    Molecular Formula C24H33N7O2
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area103
    Heavy Atom Count33
    Formal Charge0
    Complexity639
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1