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    Clofoctol

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

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    2D Structure
    Also known as: 37693-01-9, Octofene, Clofoctol [inn], Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol, 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol, Nsc-758389
    Molecular Formula
    C21H26Cl2O
    Molecular Weight
    365.3  g/mol
    InChI Key
    HQVZOORKDNCGCK-UHFFFAOYSA-N
    FDA UNII
    704083NI0R
    Clofoctol is a bacteriostatic antibiotic with activity against Gram-positive bacteria. Clofoctol is used in the treatment of upper and lower respiratory tract infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
    2.1.2 InChI
    InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
    2.1.3 InChI Key
    HQVZOORKDNCGCK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    704083NI0R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

    2. Octofene

    3. Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-

    2.3.2 Depositor-Supplied Synonyms

    1. 37693-01-9

    2. Octofene

    3. Clofoctol [inn]

    4. Alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

    5. 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

    6. Nsc-758389

    7. 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol

    8. Clofoctol (inn)

    9. Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-

    10. 704083ni0r

    11. Ncgc00095016-01

    12. Clofoctolum

    13. 2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol

    14. Dsstox_cid_25889

    15. Dsstox_rid_81203

    16. Dsstox_gsid_45889

    17. 2-[2,4-dichlorobenzyl]-4-[1,1,3,3-tetramethylbutyl]phenol

    18. .alpha.-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol

    19. Clofoctolum [inn-latin]

    20. Einecs 253-632-6

    21. Cas-37693-01-9

    22. Brn 2478182

    23. Gramplus

    24. Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-

    25. Unii-704083ni0r

    26. Octofene (tn)

    27. Spectrum_001533

    28. Clofoctol [mi]

    29. Spectrum2_001533

    30. Spectrum3_001565

    31. Spectrum4_000161

    32. Spectrum5_001082

    33. Clofoctol [mart.]

    34. Clofoctol [who-dd]

    35. Bspbio_003070

    36. Kbiogr_000641

    37. Kbioss_002013

    38. Mls002207309

    39. Clofoctol, Analytical Standard

    40. Divk1c_000426

    41. Schembl147809

    42. Spectrum1503206

    43. Spbio_001346

    44. Chembl1476605

    45. Dtxsid5045889

    46. Hms501f08

    47. Kbio1_000426

    48. Kbio2_002013

    49. Kbio2_004581

    50. Kbio2_007149

    51. Kbio3_002570

    52. Chebi:108581

    53. Ninds_000426

    54. Glxc-25630

    55. Hms1922i09

    56. Pharmakon1600-01503206

    57. 2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

    58. Hy-b1150

    59. Zinc2149829

    60. Tox21_111389

    61. Ccg-39311

    62. Nsc758389

    63. Akos024374914

    64. Tox21_111389_1

    65. Cs-4755

    66. Db13237

    67. Nsc 758389

    68. Idi1_000426

    69. Ncgc00095016-02

    70. Ncgc00095016-03

    71. Ncgc00095016-05

    72. Smr001306814

    73. Sbi-0051786.p002

    74. Ft-0704662

    75. Sw220062-1

    76. D07244

    77. Ab00052326_04

    78. Ab00052326_05

    79. Sr-01000872766

    80. Q3680895

    81. Sr-01000872766-1

    82. Brd-k02900412-001-04-8

    83. Brd-k02900412-001-05-5

    84. Brd-k02900412-001-07-1

    85. 2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol #

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 365.3 g/mol
    Molecular Formula C21H26Cl2O
    XLogP38.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass364.1360708 g/mol
    Monoisotopic Mass364.1360708 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity401
    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 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01X - Other antibacterials

    J01XX - Other antibacterials

    J01XX03 - Clofoctol