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    Isoetharine HCl

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 50-96-4, Isoetarine hydrochloride, Isoetharine hcl, Isoetharine hydrochloride [usp], Isoetharine (hydrochloride), Bronkosol
    Molecular Formula
    C13H22ClNO3
    Molecular Weight
    275.77  g/mol
    InChI Key
    MUFDLGGSOCHQOC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H
    2.1.3 InChI Key
    MUFDLGGSOCHQOC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 50-96-4

    2. Isoetarine Hydrochloride

    3. Isoetharine Hcl

    4. Isoetharine Hydrochloride [usp]

    5. Isoetharine (hydrochloride)

    6. Bronkosol

    7. 2576-92-3

    8. 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride

    9. 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol Hydrochloride

    10. Numotac Hydrochloride

    11. Dilabron Hydrochloride

    12. Isoetharine Hydrochloride (usp)

    13. Isoetarin Hydrochloride

    14. Neosuprel Hydrochloride

    15. Neoisuprel Hydrochloride

    16. Bronkometer Hydrochloride

    17. Etyprenaline Hydrochloride

    18. (r,*)-(+/-)-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocatechol Hydrochloride

    19. 1-(3,4-dihydroxyphenyl)-2-isopropylamino-1-butanol Hydrochloride

    20. Beta-2 (tn)

    21. Schembl211343

    22. Chembl1200920

    23. Hy-b1481b

    24. Dtxsid001018907

    25. Caa57692

    26. Benzyl Alcohol, 3,4-dihydroxy-alpha-(1-(isopropylamino)propyl)-, Hydrochloride

    27. Ls-14246

    28. Cs-0031429

    29. D02093

    30. (r,*)-()-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocatechol Hydrochloride

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 275.77 g/mol
    Molecular Formula C13H22ClNO3
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass275.1288213 g/mol
    Monoisotopic Mass275.1288213 g/mol
    Topological Polar Surface Area72.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity223
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2