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    CAS 133762-83-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 87-42-3, 6-chloro-9h-purine, 6-chloro-7h-purine, 1h-purine, 6-chloro-, 6-chloro-1h-purine, Purine, 6-chloro-
    Molecular Formula
    C5H3ClN4
    Molecular Weight
    154.56  g/mol
    InChI Key
    ZKBQDFAWXLTYKS-UHFFFAOYSA-N
    FDA UNII
    OH8700156W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-7H-purine
    2.1.2 InChI
    InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
    2.1.3 InChI Key
    ZKBQDFAWXLTYKS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC2=C(N1)C(=NC=N2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    OH8700156W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 87-42-3

    2. 6-chloro-9h-purine

    3. 6-chloro-7h-purine

    4. 1h-purine, 6-chloro-

    5. 6-chloro-1h-purine

    6. Purine, 6-chloro-

    7. 6-chlorpurine

    8. 6-cp

    9. 6-chloropurin-9-yl

    10. Sk 6048

    11. 6-chloropurin

    12. Nsc 744

    13. X 47

    14. 111055-92-6

    15. Mfcd00075825

    16. Nsc-744

    17. Oh8700156w

    18. Clp

    19. 6-chloropurine, Crystalline

    20. 133762-83-1

    21. Einecs 201-745-6

    22. Ai3-26401

    23. Ccris 3908

    24. 6-chloro-purine

    25. Unii-oh8700156w

    26. 3kqo

    27. Es4

    28. 6-chlor-7h-purin

    29. 6-chloropurine, 99%

    30. Schembl9081

    31. 6-chloropurine, >=99%

    32. 6-chloropurine [mi]

    33. Chembl140037

    34. Nsc744

    35. Schembl21121896

    36. Zkbqdfawxltyks-uhfffaoysa-

    37. Dtxsid00861673

    38. Us9138393, 6-chloropurine

    39. Us9144538, 6-chloropurine

    40. Chebi:177625

    41. Bdbm181123

    42. Act02229

    43. Albb-006044

    44. Bcp27820

    45. Hy-y0247

    46. Str05267

    47. Zinc4807217

    48. S4801

    49. Stk501251

    50. Wln: T56 Bm Dn Fn Hnj Ig

    51. Akos000267571

    52. Akos005259271

    53. 6-chloropurine, >=95.0% (hplc)

    54. Ab02899

    55. Ac-3252

    56. Ccg-266258

    57. Cs-w008651

    58. Ps-3424

    59. 6-chloro-9h-purine;6-chloro-7h-purine

    60. Bp-10522

    61. Sy004779

    62. Db-007147

    63. Am20110246

    64. Ft-0601457

    65. En300-30395

    66. 74c891

    67. 075c825

    68. Ag-670/31548001

    69. J-514884

    70. W-104024

    71. Q27285654

    72. F0001-2162

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 154.56 g/mol
    Molecular Formula C5H3ClN4
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass154.0046238 g/mol
    Monoisotopic Mass154.0046238 g/mol
    Topological Polar Surface Area54.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity131
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

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