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    Lotamilast

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Lotamilast, 947620-48-6, E6005, E-6005, Rvt-501, Lotamilast [usan]
    Molecular Formula
    C26H24N4O5
    Molecular Weight
    472.5  g/mol
    InChI Key
    BBTFKAOFCSOZMB-UHFFFAOYSA-N
    FDA UNII
    TO043KKB9C
    E6005 has been used in trials studying the treatment of Atopic Dermatitis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
    2.1.2 InChI
    InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)
    2.1.3 InChI Key
    BBTFKAOFCSOZMB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    TO043KKB9C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. E6005

    2. Methyl 4-(((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phenyl)amino)carbonyl)benzoate

    3. Rvt-501

    2.3.2 Depositor-Supplied Synonyms

    1. Lotamilast

    2. 947620-48-6

    3. E6005

    4. E-6005

    5. Rvt-501

    6. Lotamilast [usan]

    7. To043kkb9c

    8. Methyl 4-({3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl}carbamoyl)benzoate

    9. (methyl 4-(((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phenyl(amino)carbonyl)benzoate

    10. Methyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate

    11. Benzoic Acid, 4-(((3-(6,7-dimethoxy-2-(methylamino)-4-quinazolinyl)phenyl)amino)carbonyl)-, Methyl Ester

    12. Unii-to043kkb9c

    13. Lotamilast [inn]

    14. Lotamilast (usan/inn)

    15. Lotamilast [who-dd]

    16. Schembl369445

    17. Chembl3989967

    18. Rvt 501

    19. Bcp25249

    20. Ex-a1382

    21. Xmb62048

    22. Bdbm50559709

    23. Mfcd28502071

    24. Zinc113676839

    25. Cs-7517

    26. Db12776

    27. Sb16962

    28. Ac-35466

    29. As-52366

    30. Hy-12740

    31. D11305

    32. P14967

    33. A901684

    34. Q27290049

    2.4 Create Date
    2008-08-11
    3 Chemical and Physical Properties
    Molecular Weight 472.5 g/mol
    Molecular Formula C26H24N4O5
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass472.17466988 g/mol
    Monoisotopic Mass472.17466988 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity716
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1