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    Chlorhexadol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Chlorhexadol, Lora, 3563-58-4, 2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol, Chloralodol [inn], W8rd4n93r2
    Molecular Formula
    C8H15Cl3O3
    Molecular Weight
    265.6  g/mol
    InChI Key
    QVFWZNCVPCJQOP-UHFFFAOYSA-N
    FDA UNII
    W8RD4N93R2
    Chlorhexadol is a sedative and hypnotic which is regulated in the United States as a Schedule III controlled substance. It is a derivative of chloral hydrate.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol
    2.1.2 InChI
    InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3
    2.1.3 InChI Key
    QVFWZNCVPCJQOP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC(C)(C)O)OC(C(Cl)(Cl)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    W8RD4N93R2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Chlorhexadol

    2. Lora

    3. 3563-58-4

    4. 2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol

    5. Chloralodol [inn]

    6. W8rd4n93r2

    7. Mecoral

    8. Chloralodol (inn)

    9. Mechloral

    10. Medodorm

    11. Chloralodolum

    12. Cloralodol

    13. Cloralodol [inn-spanish]

    14. Chloralodolum [inn-latin]

    15. Einecs 222-634-9

    16. Unii-w8rd4n93r2

    17. Dea No. 2510

    18. Chlorhexadol [mi]

    19. Chloralodol [mart.]

    20. Chloralodol [who-dd]

    21. Schembl148160

    22. Chembl2104116

    23. Dtxsid8022795

    24. Chebi:135097

    25. Db01534

    26. D07325

    27. Q5102911

    28. 2-methyl-4-[(2,2,2-trichloro-1-hydroxyethyl)oxy]pentan-2-ol

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 265.6 g/mol
    Molecular Formula C8H15Cl3O3
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass264.008677 g/mol
    Monoisotopic Mass264.008677 g/mol
    Topological Polar Surface Area49.7 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Pharmacology

    Chloral hydrate has sedative/hypnotic activity which has been shown to extend the sleep of normal made adults via a dose-response relationship. [1]

    4.2 ATC Code

    N - Nervous system

    N05 - Psycholeptics

    N05C - Hypnotics and sedatives

    N05CC - Aldehydes and derivatives

    N05CC02 - Chloralodol