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    Chemistry

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    Also known as: Mosliciguat [inn], 2231749-54-3, Fl039xi4kf, Unii-fl039xi4kf, (5s)-5-((2-(4-carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)biphenyl-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydroquinoline-2-carboxylic acid, 2-quinolinecarboxylic acid, 5-((2-(4-carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydro-, (5s)-
    Molecular Formula
    C41H36ClF3N2O5
    Molecular Weight
    729.2  g/mol
    InChI Key
    HFCWZVGKWGOBKV-QNGWXLTQSA-N
    FDA UNII
    FL039XI4KF
    Mosliciguat
    Mosliciguat is under investigation in clinical trial NCT06635850 (A Phase 2 Study of Mosliciguat in PH-ILD).
    1 2D Structure

    Mosliciguat

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C41H36ClF3N2O5/c42-34-24-30(27-14-16-32(17-15-27)41(43,44)45)12-13-31(34)25-52-38-7-2-1-4-28(38)21-23-47(22-20-26-8-10-29(11-9-26)39(48)49)37-6-3-5-35-33(37)18-19-36(46-35)40(50)51/h1-2,4,7-19,24,37H,3,5-6,20-23,25H2,(H,48,49)(H,50,51)/t37-/m0/s1
    2.1.3 InChI Key
    HFCWZVGKWGOBKV-QNGWXLTQSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    FL039XI4KF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mosliciguat [inn]

    2. 2231749-54-3

    3. Fl039xi4kf

    4. Unii-fl039xi4kf

    5. (5s)-5-((2-(4-carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)biphenyl-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydroquinoline-2-carboxylic Acid

    6. 2-quinolinecarboxylic Acid, 5-((2-(4-carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydro-, (5s)-

    7. Refchem:159825

    8. (5s)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic Acid

    9. Orb1691102

    10. Schembl25692877

    11. Schembl30467081

    12. Schembl30469936

    13. Glxc-26878

    14. Akos040757443

    15. Bay-1237592

    16. Da-75684

    17. Hy-137446

    18. Cs-0138650

    2.4 Create Date
    2020-08-20
    3 Chemical and Physical Properties
    Molecular Weight 729.2 g/mol
    Molecular Formula C41H36ClF3N2O5
    XLogP37.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count13
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area100
    Heavy Atom Count52
    Formal Charge0
    Complexity1150
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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