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    Climbazole

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 18Xls

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    2D Structure
    Also known as: 38083-17-9, Baypival, Climbazol, Bay-e 6975, Crinipan ad, 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one
    Molecular Formula
    C15H17ClN2O2
    Molecular Weight
    292.76  g/mol
    InChI Key
    OWEGWHBOCFMBLP-UHFFFAOYSA-N
    FDA UNII
    9N42CW7I54
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
    2.1.2 InChI
    InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
    2.1.3 InChI Key
    OWEGWHBOCFMBLP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9N42CW7I54
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(p-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-2-butanone

    2.3.2 Depositor-Supplied Synonyms

    1. 38083-17-9

    2. Baypival

    3. Climbazol

    4. Bay-e 6975

    5. Crinipan Ad

    6. 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one

    7. 2-butanone, 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethyl-

    8. 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one

    9. Nsc-759808

    10. 1-(p-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-2-butanone

    11. Chebi:83719

    12. 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethyl-2-butanone

    13. 9n42cw7i54

    14. Ncgc00166153-01

    15. Baysan

    16. Dsstox_cid_26555

    17. Dsstox_rid_81715

    18. Dsstox_gsid_46555

    19. Climbazolum

    20. 1-(4-chlorophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanone

    21. 1-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazole-1-yl)-2-butanone

    22. Climbazol [inn-spanish]

    23. Climbazolum [inn-latin]

    24. Cas-38083-17-9

    25. Climbazole [inn:ban]

    26. Einecs 253-775-4

    27. Brn 0618020

    28. Bay E 6975

    29. Unii-9n42cw7i54

    30. Ccris 8169

    31. Meb 6401

    32. Mfcd00055505

    33. 1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutanone

    34. 1-(p-chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-2-butanone

    35. Climbazole [inn]

    36. Climbazole [inci]

    37. (+/-)-climbazole-d4

    38. Ec 253-775-4

    39. Climbazole [mart.]

    40. Climbazole [usp-rs]

    41. Climbazole [who-dd]

    42. Schembl39729

    43. Us9138393, Climbazole

    44. Us9144538, Climbazole

    45. 5-23-04-00209 (beilstein Handbook Reference)

    46. Mls004773943

    47. 1-naphthylaceticanhydride

    48. Bay E-6975

    49. Chembl1437764

    50. Dtxsid6046555

    51. Owegwhbocfmblp-uhfffaoysa-

    52. Bdbm181112

    53. Hms2090o13

    54. Hms3652p05

    55. Hms3744o15

    56. Pharmakon1600-01504833

    57. 1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethyl-2-butanone

    58. 1-(4-clorophenoxy)-3,3-dimethyl-1-(imidazole-1-yl)-2-butanone

    59. Hy-b1151

    60. Meb-6401

    61. Tox21 112343

    62. Tox21_112343

    63. Ac-272

    64. Dl-358

    65. Nsc759808

    66. S4178

    67. 2-butanone, 1-(p-chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-

    68. Akos015895513

    69. Tox21_112343_1

    70. Ccg-213958

    71. Cs-4675

    72. Db15580

    73. Ks-5112

    74. Nsc 759808

    75. Climbazole 10 Microg/ml In Cyclohexane

    76. Ncgc00166153-02

    77. Ncgc00166153-03

    78. Smr001550495

    79. Climbazole 1000 Microg/ml In Acetonitrile

    80. Db-049235

    81. Ft-0624097

    82. Ft-0655760

    83. Ft-0665095

    84. Sw219213-1

    85. Climbazole, Pestanal(r), Analytical Standard

    86. H10384

    87. Ab01275501-01

    88. Ab01275501_02

    89. Ab01275501_03

    90. 083c179

    91. A824009

    92. Ao-295/40848554

    93. Q629373

    94. Sr-05000001501

    95. Q-100974

    96. Sr-05000001501-1

    97. Brd-a61676498-001-01-7

    98. Climbazole, United States Pharmacopeia (usp) Reference Standard

    99. 1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one

    100. 1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one

    101. 1-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazol-1-yl)-butan-2-one

    102. (rs)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 292.76 g/mol
    Molecular Formula C15H17ClN2O2
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass292.0978555 g/mol
    Monoisotopic Mass292.0978555 g/mol
    Topological Polar Surface Area44.1 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1