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    Vicagrel

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    2D Structure
    Also known as: 1314081-53-2, 8a63k3tn0u, Methyl (2s)-2-(2-acetyloxy-6,7-dihydro-4h-thieno(3,2-c)pyridin-5-yl)-2-(2-chlorophenyl)acetate, Methyl (s)-2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)-2-(2-chlorophenyl)acetate, Unii-8a63k3tn0u, Chembl2042273
    Molecular Formula
    C18H18ClNO4S
    Molecular Weight
    379.9  g/mol
    InChI Key
    GNHHCBSBCDGWND-KRWDZBQOSA-N
    FDA UNII
    8A63K3TN0U
    Vicagrel is under investigation in clinical trial NCT03599284 (The Efficacy, Safety and Pharmacokinetic of Antiplatelet Therapy for Vicagrel).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate
    2.1.2 InChI
    InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1
    2.1.3 InChI Key
    GNHHCBSBCDGWND-KRWDZBQOSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3Cl)C(=O)OC
    2.1.5 Isomeric SMILES
    CC(=O)OC1=CC2=C(S1)CCN(C2)[C@@H](C3=CC=CC=C3Cl)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    8A63K3TN0U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Methyl 2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-2-(2-chlorophenyl)acetate

    2.3.2 Depositor-Supplied Synonyms

    1. 1314081-53-2

    2. 8a63k3tn0u

    3. Methyl (2s)-2-(2-acetyloxy-6,7-dihydro-4h-thieno(3,2-c)pyridin-5-yl)-2-(2-chlorophenyl)acetate

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

    5. Unii-8a63k3tn0u

    6. Chembl2042273

    7. Schembl12438770

    8. Gnhhcbsbcdgwnd-krwdzbqosa-n

    9. Ex-a7319

    10. Akos040742815

    11. Ms-26207

    12. Hy-118284

    13. Cs-0065604

    14. (s)-2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridine-5(4h)-yl)-2-(2-chlorophenyl)acetic Acid Methyl Ester

    15. (s)-methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)-2-(2-chlorophenyl)-acetate

    16. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, 2-(acetyloxy)-.alpha.-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (.alpha.s)-

    17. Thieno(3,2-c)pyridine-5(4h)-acetic Acid, 2-(acetyloxy)-alpha-(2-chlorophenyl)-6,7-dihydro-, Methyl Ester, (alphas)-

    2.4 Create Date
    2011-10-11
    3 Chemical and Physical Properties
    Molecular Weight 379.9 g/mol
    Molecular Formula C18H18ClNO4S
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area84.1
    Heavy Atom Count25
    Formal Charge0
    Complexity506
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1