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    Chemistry

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    Also known as: Toltrazuril sulfone, 69004-04-2, Toltrazuril (sulfone), 1-methyl-3-{3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione, Ponazuril [inn], 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
    Molecular Formula
    C18H14F3N3O6S
    Molecular Weight
    457.4  g/mol
    InChI Key
    VBUNOIXRZNJNAD-UHFFFAOYSA-N
    FDA UNII
    JPW84AS66U
    Ponazuril
    Ponazuril, sold by the Bayer Corporation under the trade name Marquis, is a drug currently approved for the treatment of equine protozoal myeloencephalitis in horses, caused by Sarcocystis neurona.
    1 2D Structure

    Ponazuril

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
    2.1.2 InChI
    InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
    2.1.3 InChI Key
    VBUNOIXRZNJNAD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    JPW84AS66U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Toltrazuril Sulfone

    2. 69004-04-2

    3. Toltrazuril (sulfone)

    4. 1-methyl-3-{3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione

    5. Ponazuril [inn]

    6. 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

    7. Jpw84as66u

    8. Ncgc00182044-01

    9. 1-methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1h,3h,5h)-trione.

    10. Marquis

    11. 1-methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1h,3h,5h)-trione

    12. Unii-jpw84as66u

    13. Bay-vi 9143

    14. Marquis (vet Use Only)

    15. Ponazuril [mi]

    16. Dsstox_cid_28884

    17. Dsstox_rid_83152

    18. Dsstox_gsid_48958

    19. Schembl203030

    20. Ponazuril [green Book]

    21. Acd855

    22. Chembl2104856

    23. Dtxsid7048958

    24. Gtpl12223

    25. Acd-855

    26. Bcp14930

    27. Tox21_113390

    28. Zinc33854754

    29. Ponazuril 100 Microg/ml In Methanol

    30. Akos025312522

    31. Cs-0615

    32. Db11452

    33. Ncgc00182044-02

    34. Ac-28364

    35. As-74844

    36. Hy-17008

    37. Cas-69004-04-2

    38. Ft-0673975

    39. D95987

    40. 774p233

    41. A836307

    42. Q7227567

    43. Toltrazuril Sulfone, Vetranal(tm), Analytical Standard

    44. 1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,3,5-triazinane-2,4,6-trione

    45. 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione;toltrazuril Sulfone

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 457.4 g/mol
    Molecular Formula C18H14F3N3O6S
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass457.05554083 g/mol
    Monoisotopic Mass457.05554083 g/mol
    Topological Polar Surface Area122 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity836
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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PINNACLE","city":"ESTATE,DIST.THANE WEST, M.S.","supplier":"SUANFARMA","supplierCountry":"UNITED STATES","foreign_port":"N\/A","customer":"ALIVIRA ANIMAL HEALTH","customerCountry":"INDIA","quantity":"25.00","actualQuantity":"25","unit":"KGS","unitRateFc":"650","totalValueFC":"16439.5","currency":"USD","unitRateINR":"54730","date":"27-Oct-2023","totalValueINR":"1368250","totalValueInUsd":"16439.5","indian_port":"Vizag-RPCIPL SEZ","hs_no":"29420090","bill_no":"1001776","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"N\/A","customerAddress":"3RD FLOOR, NO.301, DOSTI PINNACLE"}]
    26-Jun-2021
    24-Dec-2023
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