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    Afloqualone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 56287-74-2, Arofuto, 4(3h)-quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-, Airomate, Hq-495, Co4u2c8orz
    Molecular Formula
    C16H14FN3O
    Molecular Weight
    283.30  g/mol
    InChI Key
    VDOSWXIDETXFET-UHFFFAOYSA-N
    FDA UNII
    CO4U2C8ORZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
    2.1.3 InChI Key
    VDOSWXIDETXFET-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
    2.2 Other Identifiers
    2.2.1 UNII
    CO4U2C8ORZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 56287-74-2

    2. Arofuto

    3. 4(3h)-quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-

    4. Airomate

    5. Hq-495

    6. Co4u2c8orz

    7. 6-amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3h)-one

    8. 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one

    9. 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3h)-quinazolinone

    10. 6-amino-2-(fluoromethyl)-3-o-tolyl-4(3h)-quinazolinone

    11. Afloqualon

    12. 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-quinazolin-4-one

    13. 6-amino-2-(fluoromethyl)-3-o-tolylquinazolin-4(3h)-one

    14. Afloqualona

    15. Afloqualonum

    16. Afloqualone [inn:jan]

    17. Afloqualonum [inn-latin]

    18. Afloqualona [inn-spanish]

    19. Unii-co4u2c8orz

    20. Hq 495

    21. Brn 0819769

    22. Airomate (tn)

    23. 6-amino-2-(fluoromethyl)-3-o-tolyl-4(3h)-chinazolinon

    24. Afloqualone [mi]

    25. 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3h)-one

    26. Afloqualone [inn]

    27. Afloqualone [jan]

    28. 6-amino-3,4-dihydro-2-fluoromethyl-3-(2-methylphenyl)-4-chinazolinon

    29. Dsstox_cid_2562

    30. Afloqualone (jp17/inn)

    31. Afloqualone [mart.]

    32. Dsstox_rid_76631

    33. Dsstox_gsid_22562

    34. Afloqualone [who-dd]

    35. Mls006010086

    36. Schembl400184

    37. Chembl2105918

    38. Dtxsid5022562

    39. Chebi:31177

    40. 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-4-quinazolinone

    41. Hms3885g19

    42. Bcp13264

    43. Hy-b1833

    44. Tox21_112447

    45. Mfcd00867693

    46. S3663

    47. Zinc13831145

    48. Akos015842375

    49. Ac-1608

    50. Ccg-267278

    51. Cs-5009

    52. Ncgc00167443-02

    53. As-11726

    54. Smr004701231

    55. Cas-56287-74-2

    56. Ft-0653844

    57. D01638

    58. D95096

    59. A830986

    60. Q4689289

    61. 2-fluoromethyl-3-(o-tolyl)-6-amino-4(3h)-quinazolinone

    62. 6-azanyl-2-(fluoranylmethyl)-3-(2-methylphenyl)quinazolin-4-one

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 283.30 g/mol
    Molecular Formula C16H14FN3O
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass283.11209024 g/mol
    Monoisotopic Mass283.11209024 g/mol
    Topological Polar Surface Area58.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity439
    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

    Muscle Relaxants, Central

    A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358) (See all compounds classified as Muscle Relaxants, Central.)

    Photosensitizing Agents

    Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)

    4.2 Metabolism/Metabolites

    Afloqualone has known human metabolites that include Afloqualone N-glucuronide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560