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    Chemistry

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    Also known as:
    Molecular Formula
    C26H22F2N6O4S
    Molecular Weight
    552.6  g/mol
    InChI Key
    XBJSXSPNAZFBHC-QNBGGDODSA-N
    Talazoparib Tosylate
    1 2D Structure

    Talazoparib Tosylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9-tetraen-4-one;4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C19H14F2N6O.C7H8O3S/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,15-16,25H,1H3,(H,26,28);2-5H,1H3,(H,8,9,10)/t15-,16-;/m1./s1
    2.1.3 InChI Key
    XBJSXSPNAZFBHC-QNBGGDODSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)C2C(N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
    2.1.5 Isomeric SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)[C@@H]2[C@H](N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
    2.2 Create Date
    2012-05-28
    3 Chemical and Physical Properties
    Molecular Weight 552.6 g/mol
    Molecular Formula C26H22F2N6O4S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count3
    Exact Mass552.13913070 g/mol
    Monoisotopic Mass552.13913070 g/mol
    Topological Polar Surface Area147 A^2
    Heavy Atom Count39
    Formal Charge0
    Complexity1030
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1625509800,"product":"TALAZOPARIB TOSYLATE STANDARD","address":"HOTEL DREAMZ PARK OFFICE COMPLEX\\r\\nUNIT G, 571\/2, ANNA SALAI,\\r\\nTEYNAMPET, CHENNAI, TAMIL NADU.","city":"CHENNAI,","supplier":"FAREVA","supplierCountry":"GERMANY","foreign_port":"MUNICH","customer":"PFIZER INC","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"100","unit":"GMS","unitRateFc":"0.1","totalValueFC":"12","currency":"EUR","unitRateINR":"9","date":"06-Jul-2021","totalValueINR":"898","totalValueInUsd":"12","indian_port":"MADRAS AIR","hs_no":"29339990","bill_no":"4582293","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"MUNICH","supplierAddress":"","customerAddress":"HOTEL DREAMZ PARK OFFICE COMPLEX\\r\\nUNIT G, 571\/2, ANNA SALAI,\\r\\nTEYNAMPET, CHENNAI, TAMIL NADU."}]
    06-Jul-2021
    06-Jul-2021
    KGS
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