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    CAS 20232-39-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 20232-39-7, 6,7-dimethoxy-3,4-dihydroisoquinoline, hcl, 3,4-dihydro-6,7-dimethoxyisoquinoline hydrochloride, 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride, Mfcd00143492, Nsc-216069
    Molecular Formula
    C11H14ClNO2
    Molecular Weight
    227.69  g/mol
    InChI Key
    PQXVEYYRJHMTEV-UHFFFAOYSA-N
    FDA UNII
    WGL5C66P4J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H
    2.1.3 InChI Key
    PQXVEYYRJHMTEV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C=NCCC2=C1)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    WGL5C66P4J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 20232-39-7

    2. 6,7-dimethoxy-3,4-dihydroisoquinoline, Hcl

    3. 3,4-dihydro-6,7-dimethoxyisoquinoline Hydrochloride

    4. 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

    5. Mfcd00143492

    6. Nsc-216069

    7. 6,7-dimethoxy-3,4-dihydroisoquinoline Hcl

    8. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride (1:1)

    9. Wgl5c66p4j

    10. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride

    11. Schembl10422728

    12. Dtxsid40942339

    13. Bcp26017

    14. Nsc216069

    15. Akos015846160

    16. Cs-w002427

    17. Ds-1708

    18. Ac-22650

    19. Bp-30016

    20. Sy009731

    21. Am20120606

    22. D4629

    23. Ft-0637960

    24. 232d397

    25. 3,4-dihydro-6,7-dimethoxyisoquinolinehydrochloride

    26. J-650348

    27. 3,4-dihydro-6,7 -dimethoxyisoquinoline Hydrochloride

    28. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydro-chloride

    29. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydrochloride, Aldrichcpr

    30. 6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen Chloride (1/1)

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 227.69 g/mol
    Molecular Formula C11H14ClNO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass227.0713064 g/mol
    Monoisotopic Mass227.0713064 g/mol
    Topological Polar Surface Area30.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2