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    CAS 6429-04-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6429-04-5, Tetrahydropapaverine hydrochloride, Tetrahydropapaverine hcl, Tetrahydroalkali hydrochloride, Dl-norlaudanosine hydrochloride, Norlaudanosine hydrochloride
    Molecular Formula
    C20H26ClNO4
    Molecular Weight
    379.9  g/mol
    InChI Key
    VMPLLPIDRGXFTQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    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
    2.1.3 InChI Key
    VMPLLPIDRGXFTQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Tetrahydropapaverine

    2. Tetrahydropapaverine Hydrochloride

    2.2.2 Depositor-Supplied Synonyms

    1. 6429-04-5

    2. Tetrahydropapaverine Hydrochloride

    3. Tetrahydropapaverine Hcl

    4. Tetrahydroalkali Hydrochloride

    5. Dl-norlaudanosine Hydrochloride

    6. Norlaudanosine Hydrochloride

    7. Schembl6382627

    8. Tetrahydropapaverine Hydrochlorid

    9. Tetrahydropapaverine (hydrochloride)

    10. Mfcd00035267

    11. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

    12. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

    13. 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hcl

    14. Pubchem14134

    15. Mfcd03788189

    16. Tetrahydropapaverinehydrochloride

    17. Ctk6j7467

    18. Norlaudanosine Hcl

    19. St50409679

    20. Molport-001-770-233

    21. Bcp22904

    22. Bcp22905

    23. Hy-n0137

    24. Ccg-49784

    25. Nsc118072

    26. (r)-tetrahydropapaverine Hydrochloride

    27. Akos015900355

    28. Ac-8778

    29. Ds-2672

    30. H29t045

    31. Nsc-118072

    32. 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride

    33. Ak109367

    34. Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, Hydrochloride (1:1)

    35. Sy037149

    36. Sy258049

    37. Db-016699

    38. Db-050126

    39. Cs-0007858

    40. N0918

    41. Papaverine,2,3,4-tetrahydro-, Hydrochloride

    42. Sw219265-1

    43. A806141

    44. Q-101021

    45. Sr-01000639215-1

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

    47. 1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline Hydrochloride

    48. 1-(4,5-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-hydrochloride

    49. 1-(4,5-dimethoxybenzyl)6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-hydrochloride

    2.3 Create Date
    2007-08-14
    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 Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2