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    Technical details about DSSTox_CID_31472, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31472

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as: Chlorexolone, 2127-01-7, Clorexolon, Flonatril, Nefrolan, Klorex
    Molecular Formula
    C14H17ClN2O3S
    Molecular Weight
    328.8  g/mol
    InChI Key
    VPMWFZKOWULPGT-UHFFFAOYSA-N
    FDA UNII
    Q2PLT3FS05
    Clorexolone is a sulfonamide-based diuretic with thiazide-like activity. Cloreloxone has actions similar to that of thiazide diuretics.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
    2.1.2 InChI
    InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)
    2.1.3 InChI Key
    VPMWFZKOWULPGT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Q2PLT3FS05
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Chlorexolone

    2.3.2 Depositor-Supplied Synonyms

    1. Chlorexolone

    2. 2127-01-7

    3. Clorexolon

    4. Flonatril

    5. Nefrolan

    6. Klorex

    7. Q2plt3fs05

    8. 6-chloro-2-cyclohexyl-3-oxo-5-isoindolinesulfonamide

    9. M & B 8430

    10. 1h-isoindole-5-sulfonamide, 6-chloro-2-cyclohexyl-2,3-dihydro-3-oxo-

    11. 5-chloro-2-cyclohexyl-1-oxo-6-sulphamoylisoindoline

    12. 6-chloro-2-cyclohexyl-3-oxoisoindoline-5-sulfonamide

    13. Flonatril; Klorex; Nefrolan; Rp 12833

    14. 5-isoindolinesulfonamide, 6-chloro-2-cyclohexyl-3-oxo-

    15. 12833 R.p.

    16. 1h-isoindole-5-sulfonamide, 2,3-dihydro-6-chloro-2-cyclohexyl-3-oxo-

    17. Cloresolone [dcit]

    18. Clorexolonum [inn-latin]

    19. Clorexolona [inn-spanish]

    20. Cloresolone

    21. Clorexolona

    22. Clorexolonum

    23. Clorexolone [usan:inn:ban]

    24. Einecs 218-342-6

    25. Brn 0493411

    26. Clorexolone [mi]

    27. Clorexolone [inn]

    28. Clorexolone [jan]

    29. Clorexolone [usan]

    30. Unii-q2plt3fs05

    31. Clorexolone [mart.]

    32. Dsstox_cid_31472

    33. Dsstox_rid_97357

    34. Dsstox_gsid_57683

    35. Clorexolone [who-dd]

    36. Schembl310673

    37. Clorexolone (jan/usan/inn)

    38. Zinc1199

    39. 6-chloro-2-cyclohexyl-3-oxo-1h-isoindole-5-sulfonamide

    40. Chembl2106167

    41. Dtxsid4057683

    42. Chebi:31421

    43. Tox21_113742

    44. 6-chloro-2-cyclohexyl-2,3-dihydro-3-oxo-1h-isoindole-5-sulfonamide

    45. Db13617

    46. Ncgc00253608-01

    47. 12833 Rp

    48. Rp 12833

    49. Rp-12833

    50. Cas-2127-01-7

    51. D01436

    52. 5-22-07-00591 (beilstein Handbook Reference)

    53. J-013964

    54. Q5135140

    55. 6-chloro-2-cyclohexyl-3-oxo-2,3-dihydro- 1h-isoindole-5-sulfonamide

    2.4 Create Date
    2005-03-28
    3 Chemical and Physical Properties
    Molecular Weight 328.8 g/mol
    Molecular Formula C14H17ClN2O3S
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass328.0648413 g/mol
    Monoisotopic Mass328.0648413 g/mol
    Topological Polar Surface Area88.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity513
    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

    C - Cardiovascular system

    C03 - Diuretics

    C03B - Low-ceiling diuretics, excl. thiazides

    C03BA - Sulfonamides, plain

    C03BA12 - Clorexolone

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