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    Sarolaner

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 4,671Xls

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    2D Structure
    Also known as: 1398609-39-6, Simparica, Pf-6450567, Dm113ftw7f, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'-h-spiro(azetidine-3,1'-(2)benzofuran)-1-yl)-2-(methylsulfonyl)ethanone, Ethanone, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)spiro(azetidine-3,1'(3'h)-isobenzofuran)-1-yl)-2-(methylsulfonyl)-
    Molecular Formula
    C23H18Cl2F4N2O5S
    Molecular Weight
    581.4  g/mol
    InChI Key
    FLEFKKUZMDEUIP-QFIPXVFZSA-N
    FDA UNII
    DM113FTW7F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]-2-methylsulfonylethanone
    2.1.2 InChI
    InChI=1S/C23H18Cl2F4N2O5S/c1-37(33,34)9-19(32)31-10-21(11-31)15-3-2-12(4-13(15)8-35-21)18-7-22(36-30-18,23(27,28)29)14-5-16(24)20(26)17(25)6-14/h2-6H,7-11H2,1H3/t22-/m0/s1
    2.1.3 InChI Key
    FLEFKKUZMDEUIP-QFIPXVFZSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)CC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)C4=NOC(C4)(C5=CC(=C(C(=C5)Cl)F)Cl)C(F)(F)F
    2.1.5 Isomeric SMILES
    CS(=O)(=O)CC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)C4=NO[C@@](C4)(C5=CC(=C(C(=C5)Cl)F)Cl)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    DM113FTW7F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Simparica

    2.3.2 Depositor-Supplied Synonyms

    1. 1398609-39-6

    2. Simparica

    3. Pf-6450567

    4. Dm113ftw7f

    5. 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'-h-spiro(azetidine-3,1'-(2)benzofuran)-1-yl)-2-(methylsulfonyl)ethanone

    6. Ethanone, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)spiro(azetidine-3,1'(3'h)-isobenzofuran)-1-yl)-2-(methylsulfonyl)-

    7. (s)-1-(5'-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-yl)-2-(methylsulfonyl)ethan-1-one

    8. (s)-1-(5'-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-yl)-2-(methylsulfonyl)ethanone

    9. 1-[5'-[(5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]spiro[azetidine-3,1'(3'h)-isobenzofuran]-1-yl]-2-(methylsulfonyl)ethanone

    10. 1-[6-[(5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4h-1,2-oxazol-3-yl]spiro[1h-2-benzofuran-3,3'-azetidine]-1'-yl]-2-methylsulfonylethanone

    11. Sarolaner [usan]

    12. Sarolaner [usan:inn]

    13. Unii-dm113ftw7f

    14. Sarolaner [inn]

    15. Sarolaner [mi]

    16. Sarolaner (usan/inn)

    17. Sarolaner(pf-6450567)

    18. Sarolaner [green Book]

    19. Chembl3137302

    20. Schembl12097270

    21. Dtxsid101336934

    22. Ex-a5583

    23. Sarolaner [ema Epar Veterinary]

    24. Hy-16730

    25. Stronghold Plus Component Sarolaner

    26. Cs-0012328

    27. Sarolaner Component Of Stronghold Plus

    28. D10668

    29. Q27276475

    2.4 Create Date
    2014-03-15
    3 Chemical and Physical Properties
    Molecular Weight 581.4 g/mol
    Molecular Formula C23H18Cl2F4N2O5S
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass580.0249609 g/mol
    Monoisotopic Mass580.0249609 g/mol
    Topological Polar Surface Area93.6 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity1050
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    For the treatment of tick infestations (Dermacentor reticulatus, Ixodes hexagonus, Ixodes ricinus and Rhipicephalus sanguineus). The veterinary medicinal product has immediate and persistent tick killing activity for at least 5 weeks.

    For the treatment of flea infestations (Ctenocephalides felis and Ctenocephalides canis). The veterinary medicinal product has immediate and persistent flea killing activity against new infestations for at least 5 weeks. The veterinary medicinal product can be used as part of a treatment strategy for the control of Flea Allergy Dermatitis (FAD).

    For the treatment of sarcoptic mange (Sarcoptes scabiei).

    For the treatment of ear mite infestations (Otodectes cynotis).

    For the treatment of demodicosis (Demodex canis).

    Fleas and ticks must attach to the host and commence feeding in order to be exposed to the active substance.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    QP53BE03