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    Xibornol

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
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    2D Structure
    Also known as: 6-isobornyl-3,4-xylenol, 13741-18-9, Bactacine; nanbacine, 34632-99-0, 3,4-xylenol, 6-isobornyl- (8ci), 4,5-dimethyl-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
    Molecular Formula
    C18H26O
    Molecular Weight
    258.4  g/mol
    InChI Key
    RNRHMQWZFJXKLZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-dimethyl-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
    2.1.2 InChI
    InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3
    2.1.3 InChI Key
    RNRHMQWZFJXKLZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1C)O)C2CC3CCC2(C3(C)C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-isobornyl-3,4-xylenol

    2. Bactacine

    3. Bracen

    4. Nanbacine

    2.2.2 Depositor-Supplied Synonyms

    1. 6-isobornyl-3,4-xylenol

    2. 13741-18-9

    3. Bactacine; Nanbacine

    4. 34632-99-0

    5. 3,4-xylenol, 6-isobornyl- (8ci)

    6. 4,5-dimethyl-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

    7. Schembl151864

    8. Chembl2104519

    9. Dtxsid60472406

    10. Phenol, 4,5-dimethyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-

    11. Q4021823

    12. 4,5-dimethyl-2-[(1r,4s,6r)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]phenol

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 258.4 g/mol
    Molecular Formula C18H26O
    XLogP35.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass258.198365449 g/mol
    Monoisotopic Mass258.198365449 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity361
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    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

    J01XX02 - Xibornol