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    Dasabuvir Sodium

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 1132940-11-4, Dasabuvir sodium anhydrous, N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide sodium salt, Sodium (6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)(methylsulfonyl)amide, Chebi:85179, Q27158387
    Molecular Formula
    C26H26N3NaO5S
    Molecular Weight
    515.6  g/mol
    InChI Key
    VZCGKKLFRJCTFM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]-methylsulfonylazanide
    2.1.2 InChI
    InChI=1S/C26H26N3O5S.Na/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;/h6-15H,1-5H3,(H,27,30,31);/q-1;+1
    2.1.3 InChI Key
    VZCGKKLFRJCTFM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)[N-]S(=O)(=O)C)N4C=CC(=O)NC4=O.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1132940-11-4

    2. Dasabuvir Sodium Anhydrous

    3. N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide Sodium Salt

    4. Sodium (6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)(methylsulfonyl)amide

    5. Chebi:85179

    6. Q27158387

    7. Sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide

    8. Sodium;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]-methylsulfonylazanide

    2.3 Create Date
    2014-12-27
    3 Chemical and Physical Properties
    Molecular Weight 515.6 g/mol
    Molecular Formula C26H26N3NaO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass515.14908639 g/mol
    Monoisotopic Mass515.14908639 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity944
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Exviera is indicated in combination with other medicinal products for the treatment of chronic hepatitis C (CHC) in adults.

    For hepatitis C virus (HCV) genotype specific activity.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    J05AP09