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    Technical details about Mk2048, learn more about the structure, uses, toxicity, action, side effects and more

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    Mk2048

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    2D Structure
    1. Also known as: Mk-2048, 869901-69-9, Mk2048, Mk 2048, Lj8u884tm5, (s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
    Molecular Formula
    C21H21ClFN5O4
    Molecular Weight
    461.9  g/mol
    InChI Key
    JSRREMIKIHJGAA-JTQLQIEISA-N
    FDA UNII
    LJ8U884TM5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide
    2.1.2 InChI
    InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1
    2.1.3 InChI Key
    JSRREMIKIHJGAA-JTQLQIEISA-N
    2.1.4 Canonical SMILES
    CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C
    2.1.5 Isomeric SMILES
    CCN1C[C@@H](N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C
    2.2 Other Identifiers
    2.2.1 UNII
    LJ8U884TM5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mk-2048

    2. 869901-69-9

    3. Mk2048

    4. Mk 2048

    5. Lj8u884tm5

    6. (s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide

    7. Pyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide, 2-((3-chloro-4-fluorophenyl)methyl)-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-n,6-dimethyl-1,9-dioxo-, (6s)-

    8. Unii-lj8u884tm5

    9. 3oyl

    10. 3oyn

    11. Zzx

    12. Schembl3984882

    13. Chembl1237018

    14. Dtxsid70236031

    15. Bcp03947

    16. Ex-a2340

    17. Zinc35801891

    18. Bcp9000947

    19. Ccg-269361

    20. Cs-1034

    21. Mk 2048;mk2048

    22. Ncgc00346694-01

    23. Ncgc00346694-02

    24. Ncgc00346694-03

    25. Ncgc00346694-04

    26. Hy-13305

    27. Bcp0726000130

    28. Q3273019

    29. (13s)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-n,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide

    30. (6s)-2-((3-chloro-4-fluorophenyl)methyl)-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-n,6-dimethyl-1,9-dioxopyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide

    31. (6s)-2-[(3-chloro-4-fluoro-phenyl)methyl]-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-6,7-dihydropyrazino[[?]:[?]]pyrrolo[[?]]pyridazine-4-carboxamide

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 461.9 g/mol
    Molecular Formula C21H21ClFN5O4
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass461.1266100 g/mol
    Monoisotopic Mass461.1266100 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity828
    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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