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    Technical details about DSSTox_CID_28993, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_28993

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    2D Structure
    Also known as: 389574-19-0, Prasugrel hcl, Prasugrel (hydrochloride), Ly 640315, Prasu doc, Pcr 4099 (hydrochloride)
    Molecular Formula
    C20H21ClFNO3S
    Molecular Weight
    409.9  g/mol
    InChI Key
    JALHGCPDPSNJNY-UHFFFAOYSA-N
    FDA UNII
    G89JQ59I13
    A piperazine derivative and PLATELET AGGREGATION INHIBITOR that is used to prevent THROMBOSIS in patients with ACUTE CORONARY SYNDROME; UNSTABLE ANGINA and MYOCARDIAL INFARCTION, as well as in those undergoing PERCUTANEOUS CORONARY INTERVENTIONS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
    2.1.3 InChI Key
    JALHGCPDPSNJNY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    G89JQ59I13
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 640315, Ly

    2. 747, Cs

    3. Cs 747

    4. Cs-747

    5. Cs747

    6. Effient

    7. Efient

    8. Hcl, Prasugrel

    9. Hydrochloride, Prasugrel

    10. Ly 640315

    11. Ly-640315

    12. Ly640315

    13. Prasugrel

    14. Prasugrel Hcl

    2.3.2 Depositor-Supplied Synonyms

    1. 389574-19-0

    2. Prasugrel Hcl

    3. Prasugrel (hydrochloride)

    4. Ly 640315

    5. Prasu Doc

    6. Pcr 4099 (hydrochloride)

    7. Effient Hydrochloride

    8. Prasugrel Hydrochloride [usan]

    9. G89jq59i13

    10. Ly640315

    11. Dsstox_cid_28993

    12. Dsstox_rid_83258

    13. Dsstox_gsid_49067

    14. [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4h-thieno[3,2-c]pyridin-2-yl] Acetate;hydrochloride

    15. 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl Acetate Hydrochloride

    16. Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, Hydrochloride

    17. 5-((1rs)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridin-2-yl Acetate Hydrochloride

    18. Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-, Hydrochloride (1:1)

    19. Cas-389574-19-0

    20. Ncgc00188690-01

    21. Ncgc00188690-02

    22. Unii-g89jq59i13

    23. Prasugren Hcl

    24. Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, Hydrochloride (1:1)

    25. Effient (tn)

    26. Prasugrenhydrochloride

    27. 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone Hydrochloride

    28. Prasugren Hydrochloride

    29. Ly 640315 Hydrochloride

    30. Schembl246128

    31. Chembl1201773

    32. Dtxsid1049067

    33. Bcp16928

    34. Ex-a2645

    35. Prasugrel Hydrochloride (jan/usan)

    36. Prasugrel Hydrochloride [mi]

    37. Tox21_113621

    38. Hy-15284a

    39. Mfcd11867705

    40. Prasugrel Hydrochloride [jan]

    41. S4637

    42. Akos022185568

    43. Tox21_113621_1

    44. Ccg-268764

    45. Cs-1785

    46. Prasugrel Hydrochloride [mart.]

    47. Prasugrel Hydrochloride [vandf]

    48. Prasugrel Hydrochloride [usp-rs]

    49. Prasugrel Hydrochloride [who-dd]

    50. Ac-24004

    51. As-35081

    52. Am20090719

    53. Ft-0656362

    54. Prasugrel Hydrochloride [orange Book]

    55. Prasugrel Hydrochloride [ep Monograph]

    56. D05597

    57. Prasugrel Hydrochloride [usp Monograph]

    58. 574c190

    59. Q27278929

    60. [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4h-thieno[3,2-c]pyridin-2-yl] Acetate,hydrochloride

    61. 2-acetoxy-5-(.alpha.-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine Hydrochloride

    62. 2-acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine Hydrochloride

    63. Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-1-cyclopropyl-2-(2-fluorophenyl), Hydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 409.9 g/mol
    Molecular Formula C20H21ClFNO3S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass409.0914706 g/mol
    Monoisotopic Mass409.0914706 g/mol
    Topological Polar Surface Area74.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity555
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    P2Y12 Platelet Inhibitor [EPC]; P2Y12 Receptor Antagonists [MoA]; Decreased Platelet Aggregation [PE]
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