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    Arprinocid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 55779-18-5, 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-amine, Arpocox, Arprinocide, 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine, 9-(2-chloro-6-fluorobenzyl)adenine
    Molecular Formula
    C12H9ClFN5
    Molecular Weight
    277.68  g/mol
    InChI Key
    NAPNOSFRRMHNBJ-UHFFFAOYSA-N
    FDA UNII
    6A0XTA8ZUH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine
    2.1.2 InChI
    InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
    2.1.3 InChI Key
    NAPNOSFRRMHNBJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F
    2.2 Other Identifiers
    2.2.1 UNII
    6A0XTA8ZUH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9-(2-chloro-6-fluorobenzyl)adenine

    2. Arpocox

    3. Ici 123487

    4. Ici-123487

    5. Mk 302

    6. Mk-302

    2.3.2 Depositor-Supplied Synonyms

    1. 55779-18-5

    2. 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-amine

    3. Arpocox

    4. Arprinocide

    5. 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine

    6. 9-(2-chloro-6-fluorobenzyl)adenine

    7. 6a0xta8zuh

    8. 6-amino-9-(2-chloro-6-fluorobenzyl)purine

    9. 9-[(2-chloro-6-fluorophenyl)methyl]-9h-purin-6-amine

    10. 9h-purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-

    11. 9h-purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-

    12. Arprinocida

    13. Arprinocidum

    14. Arprinocide [inn-french]

    15. Arprinocidum [inn-latin]

    16. Arprinocida [inn-spanish]

    17. Mk 302

    18. 9-(2-chlor-6-fluorbenzyl)adenin

    19. Einecs 259-817-8

    20. Unii-6a0xta8zuh

    21. Arprinocid [usan:inn:ban]

    22. Arpocox Pom

    23. Arpocox (tn)

    24. Mk-302

    25. Arprinocid [mi]

    26. Arprinocid [inn]

    27. Arprinocid (usan/inn)

    28. Arprinocid [usan]

    29. Arprinocid [mart.]

    30. Dsstox_cid_31562

    31. Dsstox_rid_97447

    32. Dsstox_gsid_57773

    33. Zinc969

    34. Schembl126655

    35. 9-[(2-chloro-6-fluoro-phenyl)methyl]purin-6-amine

    36. 9-(2-chloro-6-fluorophenylmethyl)-9h-purine-6-amine

    37. Chembl321993

    38. Dtxsid3057773

    39. Chebi:182830

    40. Tox21_113931

    41. Mfcd00867210

    42. Akos007930173

    43. Ds-4653

    44. Ncgc00262938-01

    45. Ac-10137

    46. Cas-55779-18-5

    47. Db-052793

    48. Cs-0157021

    49. Ft-0602862

    50. C75620

    51. D02987

    52. 779a185

    53. 9-(2-chloro-6-fluorobenzyl)-9h-purin-6-ylamine

    54. 9-[(2-chloro-6-luorophenyl)methyl]purin-6-amine

    55. A830804

    56. Sr-01000944987

    57. Q4795760

    58. Sr-01000944987-1

    59. 9h-purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-?

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 277.68 g/mol
    Molecular Formula C12H9ClFN5
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass277.0530512 g/mol
    Monoisotopic Mass277.0530512 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity321
    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

    Coccidiostats

    Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)

    Anthelmintics

    Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)