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    Tipiracil Hydrochloride

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    2D Structure
    Also known as: 183204-72-0, Tipiracil hcl, Tipiracil (hydrochloride), Tipiracil hydrochloride [usan], Tas-1-462, 4h59klq0a4
    Molecular Formula
    C9H12Cl2N4O2
    Molecular Weight
    279.12  g/mol
    InChI Key
    KGHYQYACJRXCAT-UHFFFAOYSA-N
    FDA UNII
    4H59KLQ0A4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H11ClN4O2.ClH/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;/h11H,1-4H2,(H2,12,13,15,16);1H
    2.1.3 InChI Key
    KGHYQYACJRXCAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4H59KLQ0A4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 183204-72-0

    2. Tipiracil Hcl

    3. Tipiracil (hydrochloride)

    4. Tipiracil Hydrochloride [usan]

    5. Tas-1-462

    6. 4h59klq0a4

    7. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hydrochloride

    8. Chembl65375

    9. Ma-1 Hydrochloride

    10. Tpi

    11. Unii-4h59klq0a4

    12. Tipiracil.hcl

    13. 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1h,3h)-dione Hydrochloride

    14. Tipiracilhydrochloride

    15. Tipiracil Monohydrochloride

    16. 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1h-pyrimidine-2,4-dione;hydrochloride

    17. Schembl1682924

    18. Chebi:90877

    19. Ex-a882

    20. Dtxsid001027748

    21. Amy25415

    22. Bcp06245

    23. Ex-a1393

    24. Hy-a0063

    25. Tipiracil Hydrochloride (jan/usan)

    26. Tipiracil Hydrochloride [mi]

    27. Mfcd01571384

    28. S3731

    29. Tipiracil Hydrochloride [jan]

    30. Akos027427002

    31. Ccg-267234

    32. Cs-1637

    33. Tipiracil Hydrochloride [who-dd]

    34. 2,4(1h,3h)-pyrimidinedione,5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-, Hydrochloride (1:1)

    35. Ac-30634

    36. As-56082

    37. Tipiracil Hydrochloride, >=98% (hplc)

    38. Db-065426

    39. Ft-0700247

    40. Tipiracil Hydrochloride [orange Book]

    41. A13098

    42. D10467

    43. Lonsurf Component Tipiracil Hydrochloride

    44. A847265

    45. S-95005 Component Tipiracil Hydrochloride

    46. Tas-102 Component Tipiracil Hydrochloride

    47. Tipiracil Hydrochloride Component Of Lonsurf

    48. J-690251

    49. Q27162848

    50. 5-chloro-6-(1-(2-iminopyrrolidinyl)methyl)uracil Hydrochloride

    51. 5-chloro-6-(1-(2-iminopyrrolidinyl)-methyl)uracil Hydrochloride

    52. 2,4(1h,3h)-pyrimidinedione,5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl] Hydrochloride

    53. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hcl

    54. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dionehydrochloride

    55. 5-chloro-6-(2-iminopyrrolidin-1-yl)methyl-2,4(1h,3h)-pyrimidinedione Hydrochloride

    56. 5-chloro-6-(2-iminopyrrolidin-1-yl)methyl-2,4-(1h,3h)-pyrimidinedione Hydrochloride

    57. 1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium Chloride

    58. 2,4(1h,3h)-pyrimidinedione, 5-chloro-6-((2-imino-1-pyrrolidinyl)methyl)-, Hydrochloride (1:1)

    59. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hydrochloride;tipiracil Hcl

    60. 5-chloro-6-(2-imino-pyrrolidin-1-yl)methyl-2,4(1h,3h)-pyrimidinedione Hydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 279.12 g/mol
    Molecular Formula C9H12Cl2N4O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass278.0337310 g/mol
    Monoisotopic Mass278.0337310 g/mol
    Topological Polar Surface Area85.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2