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    Also known as: 119520-06-8, Zilpaterol hcl, Ex8iep25ju, (9r,10r)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride, 9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride, Imidazo(4,5,1-jk)(1)benzazepin-2(1h)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, monohydrochloride
    Molecular Formula
    C14H20ClN3O2
    Molecular Weight
    297.78  g/mol
    InChI Key
    GIEFXLLRTJNFGT-LOCPCMAASA-N
    FDA UNII
    EX8IEP25JU
    Zilpaterol HCl
    1 2D Structure

    Zilpaterol HCl

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H19N3O2.ClH/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19;/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19);1H/t11-,13-;/m1./s1
    2.1.3 InChI Key
    GIEFXLLRTJNFGT-LOCPCMAASA-N
    2.1.4 Canonical SMILES
    CC(C)NC1CCN2C3=C(C1O)C=CC=C3NC2=O.Cl
    2.1.5 Isomeric SMILES
    CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    EX8IEP25JU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 119520-06-8

    2. Zilpaterol Hcl

    3. Ex8iep25ju

    4. (9r,10r)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride

    5. 9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride

    6. Imidazo(4,5,1-jk)(1)benzazepin-2(1h)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, Monohydrochloride

    7. Rac-(6r,7r)-7-hydroxy-6-(isopropylamino)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1)benzazepin-2(1h)-one Hydrochloride

    8. Unii-ex8iep25ju

    9. Schembl135498

    10. Chembl513390

    11. Amy23433

    12. Mfcd09033213

    13. Zilpaterol Hydrochloride [mi]

    14. Akos015967220

    15. Zilpaterol Hydrochloride [mart.]

    16. Zilpaterol Hydrochloride [green Book]

    17. 520z068

    18. A903870

    19. J-501696

    20. Q27277408

    21. (6r,7r)-6-hydroxy-7-(isopropylamino)-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2h)-one Hydrochloride

    22. (9r,10r)-9-hydroxy-10-[(propan-2-yl)amino]-1,3-diazatricyclo[6.4.1.0?,??]trideca-4,6,8(13)-trien-2-one Hydrochloride

    23. Trans-4,5,6,7-tetrahydro-7-hydroxy-6-(isopropylamino)imidazo[4,5,1-jk]-[1]benzazepin-2(1h)-one Hydrochloride

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 297.78 g/mol
    Molecular Formula C14H20ClN3O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass297.1244046 g/mol
    Monoisotopic Mass297.1244046 g/mol
    Topological Polar Surface Area64.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity361
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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