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    Chemistry

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    Also known as: 2779498-79-0, Vv116 hydrobromide, P4l9q2t94l, Chembl5314972, Deuremidevir hydrobromide [who-dd], Ex-a5453
    Molecular Formula
    C24H32BrN5O7
    Molecular Weight
    583.4  g/mol
    InChI Key
    HVRWXEFYGBTUNI-FTPFRNFUSA-N
    FDA UNII
    P4L9Q2T94L
    Deuremidevir hydrobromide
    1 2D Structure

    Deuremidevir hydrobromide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R,4R,5R)-5-(4-amino-5-deuteriopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;hydrobromide
    2.1.2 InChI
    InChI=1S/C24H31N5O7.BrH/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17;/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28);1H/t16-,18-,19-,24+;/m1./s1/i7D;
    2.1.3 InChI Key
    HVRWXEFYGBTUNI-FTPFRNFUSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    P4L9Q2T94L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2779498-79-0

    2. Vv116 Hydrobromide

    3. P4l9q2t94l

    4. Chembl5314972

    5. Deuremidevir Hydrobromide [who-dd]

    6. Ex-a5453

    7. Hy-145119as

    8. Ms-30448

    9. Jt001; Gs-621763-d1

    10. Cs-0498811

    11. [(2r,3r,4r,5r)-5-(4-amino-5-deuteriopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;hydrobromide

    12. D-altrononitrile, 2-c-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl-5-d)-2,5-anhydro-, 3,4,6-tris(2-methylpropanoate), Hydrobromide (1:1)

    2.4 Create Date
    2022-06-30
    3 Chemical and Physical Properties
    Molecular Weight 583.4 g/mol
    Molecular Formula C24H32BrN5O7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area168
    Heavy Atom Count37
    Formal Charge0
    Complexity887
    Isotope Atom Count1
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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