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    Technical details about DSSTox_CID_28924, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_28924

    APIs // Active Pharmaceutical Ingredients

    INTERMEDIATES

    DOSSIERs // Finished Dosage Forms

    GLOBAL SALES INFORMATION

    MARKET PLACE

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 72-80-0, 5,7-dichloro-8-hydroxyquinaldine, 5,7-dichloro-2-methylquinolin-8-ol, 5,7-dichloro-8-hydroxy-2-methylquinoline, Chloroquinaldol, 5,7-dichloro-2-methyl-8-quinolinol
    Molecular Formula
    C10H7Cl2NO
    Molecular Weight
    228.07  g/mol
    InChI Key
    GPTXWRGISTZRIO-UHFFFAOYSA-N
    FDA UNII
    D6VHC87LLS
    Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant.
    Chlorquinaldol is a Standardized Chemical Allergen. The physiologic effect of chlorquinaldol is by means of Increased Histamine Release, and Cell-mediated Immunity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dichloro-2-methylquinolin-8-ol
    2.1.2 InChI
    InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
    2.1.3 InChI Key
    GPTXWRGISTZRIO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    D6VHC87LLS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,7 Dichloro 2 Methyl 8 Quinolinol

    2. 5,7-dichloro-2-methyl-8-quinolinol

    3. Afungil

    4. Chlorchinaldine

    5. Chlorchinaldol

    6. Chloroquinaldol

    7. Sterosan

    2.3.2 Depositor-Supplied Synonyms

    1. 72-80-0

    2. 5,7-dichloro-8-hydroxyquinaldine

    3. 5,7-dichloro-2-methylquinolin-8-ol

    4. 5,7-dichloro-8-hydroxy-2-methylquinoline

    5. Chloroquinaldol

    6. 5,7-dichloro-2-methyl-8-quinolinol

    7. Clorquinaldol

    8. Sterosan

    9. 5,7-dichloro-8-quinaldinol

    10. Siasteran

    11. Siosteran

    12. Steroxin

    13. Siogene

    14. Chlorquinaldolum

    15. Gyno-sterosan

    16. 5,7-dichloro-2-methyl-8-hydroxyquinoline

    17. 8-quinolinol, 5,7-dichloro-2-methyl-

    18. Chloquinan

    19. Hydroxydichloroquinaldine

    20. Siogen

    21. 5,7-dichloro-2-methyl-quinolin-8-ol

    22. D6vhc87lls

    23. Nsc-755830

    24. Mls002695929

    25. Chlorchinaldol

    26. Chebi:74500

    27. Chlorchinaldolum

    28. Chlorquinaldol (inn)

    29. Ncgc00095795-04

    30. Clorchinaldolo

    31. Smr001549973

    32. 2-methyl-5,7-dichloro-8-hydroxyquinoline

    33. Chlorquinaldol [inn]

    34. Dsstox_cid_28924

    35. Dsstox_rid_83190

    36. Dsstox_gsid_48998

    37. Chlorchinaldin

    38. Chlorguinaldon

    39. Clorchinaldolo [dcit]

    40. Chlorquinaldol, Chlorquinaldol (5,7-dichloro-2-methyl-8-quinolinol)

    41. Cas-72-80-0

    42. Clorquinaldol [inn-spanish]

    43. Chlorquinaldolum [inn-latin]

    44. Chlorquinaldol [inn:ban:dcf]

    45. Einecs 200-789-3

    46. Unii-d6vhc87lls

    47. Brn 0156683

    48. Gynotherax

    49. Vagisteran

    50. Florabina

    51. Saprosan

    52. Siogenal

    53. Siogeno

    54. Siogenon

    55. Siosept

    56. Sterozan

    57. Quesil

    58. Mfcd00023984

    59. Hydroxydichloroquinaldinol

    60. Spectrum2_000524

    61. Spectrum3_001092

    62. Spectrum4_001263

    63. Chlorquinaldol [mi]

    64. Cid_6301

    65. Oprea1_721210

    66. Bspbio_002764

    67. Kbiogr_001846

    68. Spectrum212151

    69. 5-21-03-00346 (beilstein Handbook Reference)

    70. Schembl301405

    71. Spbio_000507

    72. Chlorquinaldol [mart.]

    73. Chembl224325

    74. Chlorquinaldol [who-dd]

    75. Dtxsid3048998

    76. Bdbm76302

    77. Kbio3_001984

    78. 5-bromo 2-isobutoxy Benzonitirle

    79. Hms3089a18

    80. Hms3264i07

    81. Hms3652h09

    82. Pharmakon1600-00212151

    83. Zinc119403

    84. Bcp11865

    85. Hy-b1360

    86. Tox21_113490

    87. Ccg-39580

    88. Nsc755830

    89. S4192

    90. Stl502989

    91. Akos000119838

    92. Tox21_113490_1

    93. Cs-4899

    94. Db13306

    95. Nsc 755830

    96. Ps-7753

    97. S10253

    98. Ncgc00095795-01

    99. Ncgc00095795-02

    100. Ncgc00095795-03

    101. Ncgc00095795-06

    102. Ac-29743

    103. Quinolin-8-ol, 5,7-dichloro-2-methyl-

    104. Sbi-0207012.p001

    105. Db-055679

    106. 5,7-bis(chloranyl)-2-methyl-quinolin-8-ol

    107. Ft-0623717

    108. Sw220230-1

    109. A16448

    110. D07208

    111. 5,7-dichloro-8-hydroxy-2-methylquinoline, 98%

    112. Ab00443827_06

    113. Ab00443827_07

    114. A837624

    115. Sr-01000872737

    116. Q1645622

    117. Sr-01000872737-1

    118. W-104478

    119. Z118257784

    120. 5,7-dichloro-8-hydroxyquinaldine 5,7-dichloro-2-methyl-8-hydroxyquinoline

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 228.07 g/mol
    Molecular Formula C10H7Cl2NO
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass226.9904692 g/mol
    Monoisotopic Mass226.9904692 g/mol
    Topological Polar Surface Area33.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity214
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Chlorquinaldol was used historically as a topical antiseptic agent for skin infections. It maintains use in European countries as a combination vaginal tablet with promestriene for use in the treatment of vaginal infections.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Chlorquinaldol is bacteriocidal in both gram positive and gram negative bacteria. It is more effective in targeting gram positive bacteria, particularly staphylococci.

    5.2 MeSH Pharmacological Classification

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

    5.3 FDA Pharmacological Classification
    5.3.1 Active Moiety
    CHLORQUINALDOL
    5.3.2 FDA UNII
    D6VHC87LLS
    5.3.3 Pharmacological Classes
    Chemical Structure [CS] - Allergens
    5.4 ATC Code

    D - Dermatologicals

    D08 - Antiseptics and disinfectants

    D08A - Antiseptics and disinfectants

    D08AH - Quinoline derivatives

    D08AH02 - Chlorquinaldol

    G - Genito urinary system and sex hormones

    G01 - Gynecological antiinfectives and antiseptics

    G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

    G01AC - Quinoline derivatives

    G01AC03 - Chlorquinaldol

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01A - Agents against amoebiasis and other protozoal diseases

    P01AA - Hydroxyquinoline derivatives

    P01AA04 - Chlorquinaldol

    R - Respiratory system

    R02 - Throat preparations

    R02A - Throat preparations

    R02AA - Antiseptics

    R02AA11 - Chlorquinaldol

    5.5 Absorption, Distribution and Excretion

    Absorption

    There is a high degree of variability in the extent of absorption of topically applied chorquinaldol preparations. It is reported to be between 4.2 and 23.5% of the applied dose. This is quite low compared to orally administered preparations which displayed 67.6% absorption in the same study.

    Route of Elimination

    Chlorquinadol is primarily excreted in the urine as the sulfate form. About 2% is excreted as the parent drug.

    5.6 Metabolism/Metabolites

    98% of drug is converted to the sulfate form and renally excreted.

    5.7 Mechanism of Action

    The mechanism by which Chlorquinaldol exerts it's bacteriocidal effect is unknown. 8-hydroxyquinolines are known to be bidentate chelators of several metal ions which act as critical enzyme cofactors. However, the addition of exogenous metal ions does not appear to alter the minimum inhibitory concentration for mycobacterium tuberculosis suggesting that the primary mechanism does not rely on chelation.

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