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    Indacaterol Acetate

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    2D Structure
    Also known as: 1000160-96-2, Ryi4401dtm, Indacaterol acetate (jan), Indacaterol acetate [jan], Acetic acid;5-[(1r)-2-[(5,6-diethyl-2,3-dihydro-1h-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one, Unii-ryi4401dtm
    Molecular Formula
    C26H32N2O5
    Molecular Weight
    452.5  g/mol
    InChI Key
    HZHXFIDENGBQFQ-FTBISJDPSA-N
    FDA UNII
    RYI4401DTM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C24H28N2O3.C2H4O2/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;1-2(3)4/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1H3,(H,3,4)/t22-;/m0./s1
    2.1.3 InChI Key
    HZHXFIDENGBQFQ-FTBISJDPSA-N
    2.1.4 Canonical SMILES
    CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.CC(=O)O
    2.1.5 Isomeric SMILES
    CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    RYI4401DTM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1000160-96-2

    2. Ryi4401dtm

    3. Indacaterol Acetate (jan)

    4. Indacaterol Acetate [jan]

    5. Acetic Acid;5-[(1r)-2-[(5,6-diethyl-2,3-dihydro-1h-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one

    6. Unii-ryi4401dtm

    7. Indacaterol Acetic

    8. Schembl362019

    9. Chembl4297657

    10. Dtxsid70142865

    11. Ex-a6068

    12. Indacaterol Acetate [who-dd]

    13. D11009

    14. Q27288350

    15. (r)-5-[2-(5,6-diethyl-indan-2-ylamino)-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one Acetate

    2.4 Create Date
    2008-02-26
    3 Chemical and Physical Properties
    Molecular Weight 452.5 g/mol
    Molecular Formula C26H32N2O5
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass452.23112213 g/mol
    Monoisotopic Mass452.23112213 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity620
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2