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    Clazuril

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 540Xls

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    2D Structure
    Also known as: 101831-36-1, R-62690, R62,690, O8w0r05772, (2-chloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3h)-yl)phenyl)(p-chlorophenyl)acetonitrile, 2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
    Molecular Formula
    C17H10Cl2N4O2
    Molecular Weight
    373.2  g/mol
    InChI Key
    QUUTUGLQZLNABV-UHFFFAOYSA-N
    FDA UNII
    O8W0R05772
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
    2.1.2 InChI
    InChI=1S/C17H10Cl2N4O2/c18-11-3-1-10(2-4-11)14(8-20)13-6-5-12(7-15(13)19)23-17(25)22-16(24)9-21-23/h1-7,9,14H,(H,22,24,25)
    2.1.3 InChI Key
    QUUTUGLQZLNABV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    O8W0R05772
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Appertex

    2. R 62690

    3. R-62690

    2.3.2 Depositor-Supplied Synonyms

    1. 101831-36-1

    2. R-62690

    3. R62,690

    4. O8w0r05772

    5. (2-chloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3h)-yl)phenyl)(p-chlorophenyl)acetonitrile

    6. 2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile

    7. Clazurilum

    8. Clazurilo

    9. 2-(2-chloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl)-2-(4-chlorophenyl)acetonitrile

    10. Clazurilum [latin]

    11. Clazurilo [spanish]

    12. Clazuril [usan:inn:ban]

    13. Unii-o8w0r05772

    14. R 62690

    15. Clazuril [usan]

    16. Clazuril (usan/inn)

    17. Clazuril [inn]

    18. Clazuril [mi]

    19. Clazuril [mart.]

    20. (+/-)-clazuril

    21. Schembl466311

    22. Clazuril For System Suitability

    23. Chembl2104190

    24. Clazuril, (+/-)-

    25. Dtxsid30869364

    26. [2-chloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl](4-chlorophenyl)acetonitrile

    27. Hy-101000

    28. Cs-0018222

    29. D03533

    30. Q3680360

    31. 2-chloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)benzeneacetonitrile

    32. 2-chloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2-(3h)-yl)benzeneacetonitrile

    33. Benzeneacetonitrile, 2-chloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 373.2 g/mol
    Molecular Formula C17H10Cl2N4O2
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass372.0180810 g/mol
    Monoisotopic Mass372.0180810 g/mol
    Topological Polar Surface Area85.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity609
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1