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    Tanimilast

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    2D Structure
    Also known as: Tanimilast, Tranimilast, 1239278-59-1, Chf6001, Tranimilast [usan], J3.309.618f
    Molecular Formula
    C30H30Cl2F2N2O8S
    Molecular Weight
    687.5  g/mol
    InChI Key
    VCFBPAOSTLMYIV-SANMLTNESA-N
    FDA UNII
    0984EU6E2F
    CHF6001 has been used in trials studying the treatment of Asthma and Chronic Obstructive Pulmonary Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate
    2.1.2 InChI
    InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
    2.1.3 InChI Key
    VCFBPAOSTLMYIV-SANMLTNESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    0984EU6E2F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)-4-(methylsulfonamido)benzoyloxy)ethyl)pyridine 1-oxide

    2. Chf6001

    3. Tanimilast

    4. Tranimilast

    2.3.2 Depositor-Supplied Synonyms

    1. Tanimilast

    2. Tranimilast

    3. 1239278-59-1

    4. Chf6001

    5. Tranimilast [usan]

    6. J3.309.618f

    7. Tanimilast [inn]

    8. Unii-0984eu6e2f

    9. [(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate

    10. 0984eu6e2f

    11. 3,5-dichloro-4-((2s)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)-4-methanesulfonamidobenzoyloxy)ethyl)pyridin-1-ium-1-olate

    12. 3,5-dichloro-4-[(2s)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(cyclopropylmethoxy)-4-methanesulfonamidobenzoyloxy]ethyl]pyridin-1-ium-1-olate

    13. Chembl3113974

    14. Schembl12096092

    15. Glxc-10137

    16. Bdbm50495704

    17. Who 11075

    18. Db12800

    19. Da-67921

    20. Hy-19929

    21. Cs-0016928

    22. Ns00073468

    23. Q27236468

    24. (s)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)- 4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)- 4-(methylsulfonamido)benzoyloxy)ethyl)pyridine-1-oxide

    25. (s)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3-(cyclopropylmethoxy)-4-(methylsulfonamido)benzoyloxy)ethyl)pyridine 1-oxide

    26. 2.3,5-dichloro-4-[(2s)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-([3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoyl]oxy}ethyl]pyridine 1-oxide

    27. 3-cyclopropylmethoxy-4[(methylsulfonyl)-amino]-1-(s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-4-pyridinyl)-benzoic Acid Ethylester

    28. Benzoic Acid, 3-(cyclopropylmethoxy)-4-((methylsulfonyl)amino)-, (1s)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-oxido-4-pyridinyl)ethyl Ester

    2.4 Create Date
    2012-12-01
    3 Chemical and Physical Properties
    Molecular Weight 687.5 g/mol
    Molecular Formula C30H30Cl2F2N2O8S
    XLogP35.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count16
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area134
    Heavy Atom Count45
    Formal Charge0
    Complexity1070
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1