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    Ruzasvir

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    2D Structure
    Also known as: 1613081-64-3, Mk-8408, Lx752bd95y, Carbamic acid, n,n'-(((6s)-6-(2-cyclopropyl-5-thiazolyl)-1-fluoro-6h-indolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1h-imidazole-5,2-diyl-(2s)-2,1-pyrrolidinediyl((1s)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, c,c'-dimethyl ester, Methyl n-[(2s)-1-[(2s)-2-[5-[(6s)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1h-imidazol-5-yl]-6h-indolo[1,2-c][1,3]benzoxazin-10-yl]-1h-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate, Ruzasvir [usan:inn]
    Molecular Formula
    C49H55FN10O7S
    Molecular Weight
    947.1  g/mol
    InChI Key
    AXWDHVUJXNOWCC-RAEGKSCOSA-N
    FDA UNII
    LX752BD95Y
    Ruzasvir has been used in trials studying the treatment of Hepatitis C, Hepatitis C, Chronic, and Hepatitis C Infection.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C49H55FN10O7S/c1-24(2)40(56-48(63)65-5)45(61)58-15-7-9-34(58)42-51-21-31(54-42)27-13-14-33-29(17-27)19-36-39-30(50)18-28(20-37(39)67-47(60(33)36)38-23-53-44(68-38)26-11-12-26)32-22-52-43(55-32)35-10-8-16-59(35)46(62)41(25(3)4)57-49(64)66-6/h13-14,17-26,34-35,40-41,47H,7-12,15-16H2,1-6H3,(H,51,54)(H,52,55)(H,56,63)(H,57,64)/t34-,35-,40-,41-,47-/m0/s1
    2.1.3 InChI Key
    AXWDHVUJXNOWCC-RAEGKSCOSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)F)C9=CN=C(S9)C1CC1)NC(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)F)C9=CN=C(S9)C1CC1)NC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    LX752BD95Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mk-8408

    2.3.2 Depositor-Supplied Synonyms

    1. 1613081-64-3

    2. Mk-8408

    3. Lx752bd95y

    4. Carbamic Acid, N,n'-(((6s)-6-(2-cyclopropyl-5-thiazolyl)-1-fluoro-6h-indolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1h-imidazole-5,2-diyl-(2s)-2,1-pyrrolidinediyl((1s)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,c'-dimethyl Ester

    5. Methyl N-[(2s)-1-[(2s)-2-[5-[(6s)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1h-imidazol-5-yl]-6h-indolo[1,2-c][1,3]benzoxazin-10-yl]-1h-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

    6. Ruzasvir [usan:inn]

    7. Unii-lx752bd95y

    8. Ruzasvir [usan]

    9. Ruzasvir (usan/inn)

    10. Ruzasvir [inn]

    11. Ruzasvir [who-dd]

    12. Chembl3971095

    13. Schembl18268432

    14. Db11713

    15. J3.601.978f

    16. D11217

    17. Q27283234

    18. Dimethyl ((2s,2's)-((2s,2's)-(((s)-6-(2-cyclopropylthiazol-5-yl)-1-fluoro-6h-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1h-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate

    2.4 Create Date
    2015-10-16
    3 Chemical and Physical Properties
    Molecular Weight 947.1 g/mol
    Molecular Formula C49H55FN10O7S
    XLogP36.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count14
    Exact Mass946.39599347 g/mol
    Monoisotopic Mass946.39599347 g/mol
    Topological Polar Surface Area230 Ų
    Heavy Atom Count68
    Formal Charge0
    Complexity1840
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)