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    Ivacaftor/Tezacaftor

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ivacaftor regimen with tezacaftor, 1969264-35-4, Ivacaftor / tezacaftor, Tezacaftor / ivacaftor, Tezacaftor and ivacaftor, Ivacaftor and tezacaftor
    Molecular Formula
    C50H55F3N4O9
    Molecular Weight
    913.0  g/mol
    InChI Key
    NETGOEWJJZQLCO-PKLMIRHRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
    2.1.2 InChI
    InChI=1S/C26H27F3N2O6.C24H28N2O3/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20;1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35);7-13,27H,1-6H3,(H,25,28)(H,26,29)/t16-;/m1./s1
    2.1.3 InChI Key
    NETGOEWJJZQLCO-PKLMIRHRSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C.CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F
    2.1.5 Isomeric SMILES
    CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C.CC(C)(CO)C1=CC2=CC(=C(C=C2N1C[C@H](CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Symdeko

    2. Tezacaftor - Ivacaftor

    3. Tezacaftor And Ivacaftor

    4. Tezacaftor, Ivacaftor Drug Combination

    5. Tezacaftor; Ivacaftor

    2.2.2 Depositor-Supplied Synonyms

    1. Ivacaftor Regimen With Tezacaftor

    2. 1969264-35-4

    3. Ivacaftor / Tezacaftor

    4. Tezacaftor / Ivacaftor

    5. Tezacaftor And Ivacaftor

    6. Ivacaftor And Tezacaftor

    7. Tezacaftor Mixture With Ivacaftor

    8. Dtxsid401027914

    9. 3-quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, Mixture With 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-n-(1-((2r)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1h-indol-5-yl)cyclopropanecarboxamide

    2.3 Create Date
    2014-02-10
    3 Chemical and Physical Properties
    Molecular Weight 913.0 g/mol
    Molecular Formula C50H55F3N4O9
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count12
    Exact Mass912.39211383 g/mol
    Monoisotopic Mass912.39211383 g/mol
    Topological Polar Surface Area192 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity1530
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Symkevi is indicated in a combination regimen with ivacaftor tablets for the treatment of patients with cystic fibrosis (CF) aged 6 years and older who are homozygous for the F508del mutation or who are heterozygous for the F508del mutation and have one of the following mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) gene: P67L, R117C, L206W, R352Q, A455E, D579G, 711+3AG, S945L, S977F, R1070W, D1152H, 2789+5GA, 3272 26AG, and 3849+10kbCT.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    R07AX31

    R - Respiratory system

    R07 - Other respiratory system products

    R07A - Other respiratory system products

    R07AX - Other respiratory system products

    R07AX31 - Ivacaftor and tezacaftor