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    CAS 54417-52-6

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 54417-53-7, R-tetrahydropapaverine hcl, (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride, (r)-(-)-norlaudanosine hydrochloride, (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hcl, (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
    Molecular Formula
    C20H26ClNO4
    Molecular Weight
    379.9  g/mol
    InChI Key
    VMPLLPIDRGXFTQ-PKLMIRHRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H/t16-;/m1./s1
    2.1.3 InChI Key
    VMPLLPIDRGXFTQ-PKLMIRHRSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
    2.1.5 Isomeric SMILES
    COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 54417-53-7

    2. R-tetrahydropapaverine Hcl

    3. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hydrochloride

    4. (r)-(-)-norlaudanosine Hydrochloride

    5. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hcl

    6. (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

    7. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline, Hcl

    8. Mfcd03788189

    9. Ec 415-110-8

    10. R-tatrahydropapaverine Hcl

    11. R-tetrahydropapaverin Hydrochloride

    12. Dtxsid901335061

    13. R-tetrahydropapaverine Hydrochlorid

    14. R-tetrahydropapaverine Hydrochloride

    15. Ac-2114

    16. (r)-tetrahydropapaverine (hydrochloride)

    17. As-37627

    18. Cs-0137505

    19. 417d537

    20. Q-101023

    21. (r)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline Hcl

    22. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4 -tetrahydro-isoquinoline Hydrochloride

    23. (1r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride (1:1)

    24. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hydrochloride, Aldrichcpr

    2.3 Create Date
    2010-03-23
    3 Chemical and Physical Properties
    Molecular Weight 379.9 g/mol
    Molecular Formula C20H26ClNO4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass379.1550360 g/mol
    Monoisotopic Mass379.1550360 g/mol
    Topological Polar Surface Area49 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity407
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2