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    CAS 144750-52-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 144750-52-7, Clopidogrel related compound b, Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4h-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride, Alpha-(2-chlorophenyl)-4,7-dihydro-thieno[2,3-c]pyridine-6(5h)-acetic acid methyl ester hcl, Rac-clopidogrel hydrochloride, Dtxsid80675775
    Molecular Formula
    C16H17Cl2NO2S
    Molecular Weight
    358.3  g/mol
    InChI Key
    SYAKRIYLSOOCKW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H
    2.1.3 InChI Key
    SYAKRIYLSOOCKW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)SC=C3.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 144750-52-7

    2. Clopidogrel Related Compound B

    3. Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4h-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride

    4. Alpha-(2-chlorophenyl)-4,7-dihydro-thieno[2,3-c]pyridine-6(5h)-acetic Acid Methyl Ester Hcl

    5. Rac-clopidogrel Hydrochloride

    6. Dtxsid80675775

    7. Mfcd22375692

    8. Sc1416

    9. Akos024464097

    10. Cs-w011830

    11. Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridine-6(7h)-yl)acetate Hydrochloride

    12. Ac-24407

    13. As-74895

    14. Ft-0665129

    15. A884756

    16. J-008005

    17. Clopidogrel Related Compound B, United States Pharmacopeia (usp) Reference Standard

    18. Methyl (2rs)-(o-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridine-6(7h)-acetate Hydrochloride

    19. Methyl 2-(2-chlorophenyl)-2-{4h,5h,6h,7h-thieno[2,3-c]pyridin-6-yl}acetate Hydrochloride

    20. Methyl2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7h)-yl)acetatehydrochloride

    21. A-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-acetic Acid Methyl Ester Hydrochloride

    22. Methyl (2-chlorophenyl)(4,7-dihydrothieno[2,3-c]pyridin-6(5h)-yl)acetate--hydrogen Chloride (1/1)

    23. Methyl (2rs)-(2-chlorophenyl)[4,7-dihydrothieno[2,3-c]pyridin-6(5h)-yl]acetate Hydrochloride

    24. Thieno[2,3-c]pyridine-6(5h)-acetic Acid, Alpha-(2-chlorophenyl)-4,7-dihydro-, Methyl Ester, Hydrochloride (1:1)

    2.3 Create Date
    2010-07-26
    3 Chemical and Physical Properties
    Molecular Weight 358.3 g/mol
    Molecular Formula C16H17Cl2NO2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass357.0357053 g/mol
    Monoisotopic Mass357.0357053 g/mol
    Topological Polar Surface Area57.8 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity381
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2