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    Boldine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 476-70-0, Uniboldina, Boldin, (s)-boldine, Boldine chloroform, 1,10-dimethoxy-2,9-dihydroxyaporphine
    Molecular Formula
    C19H21NO4
    Molecular Weight
    327.4  g/mol
    InChI Key
    LZJRNLRASBVRRX-ZDUSSCGKSA-N
    FDA UNII
    8I91GE2769
    (9S)-4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0,.0,]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-5,15-diol is a natural product found in Lindera umbellata, Damburneya salicifolia, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
    2.1.2 InChI
    InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
    2.1.3 InChI Key
    LZJRNLRASBVRRX-ZDUSSCGKSA-N
    2.1.4 Canonical SMILES
    CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
    2.1.5 Isomeric SMILES
    CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
    2.2 Other Identifiers
    2.2.1 UNII
    8I91GE2769
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 476-70-0

    2. Uniboldina

    3. Boldin

    4. (s)-boldine

    5. Boldine Chloroform

    6. 1,10-dimethoxy-2,9-dihydroxyaporphine

    7. (+)-boldine

    8. Nsc 65689

    9. 2,9-dihydroxy-1,10-dimethoxyaporphine

    10. (s)-(+)-boldine

    11. 1,10-dimethoxy-6a-alpha-aporphine-2,9-diol

    12. (6as)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-2,9-diol

    13. Chebi:3148

    14. Chembl388342

    15. 4h-dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6as)-

    16. 8i91ge2769

    17. (s)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-2,9-diol

    18. 4h-dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6as)-

    19. 4h-dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (s)-

    20. (+)-(s)-boldine

    21. Einecs 207-509-9

    22. Brn 0094036

    23. Nsc-65689

    24. Ex Peumus Boldus

    25. Unii-8i91ge2769

    26. Aprophine Alkaloid

    27. 4h-dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (s)-

    28. Prestwick_46

    29. Boldine [mi]

    30. Prestwick3_000600

    31. Boldine [who-dd]

    32. 6aalpha-aporphine-2,9-diol, 1,10-dimethoxy-

    33. Boldine, Analytical Standard

    34. Bspbio_000480

    35. 5-21-06-00118 (beilstein Handbook Reference)

    36. Cid_10154

    37. Mls002153899

    38. Schembl177550

    39. Boldine [ep Monograph]

    40. 6a-alpha-aporphine-2,9-diol, 1,10-dimethoxy-

    41. Bpbio1_000528

    42. Cid_248507

    43. Dtxsid40883394

    44. 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-4h-dibenzo[de,g]quinoline-2,9-diol

    45. Hms2096h22

    46. Hms2235b04

    47. Zinc135449

    48. Hy-n6973

    49. Tnp00245

    50. Bdbm50202318

    51. Mfcd00135040

    52. S9050

    53. Zb1855

    54. Boldine, Analytical Reference Material

    55. 2,6-dihydroxy-3,5-dimethoxyaporphine

    56. Akos015912953

    57. Ccg-208461

    58. Ncgc00016454-01

    59. Ncgc00016454-02

    60. Ncgc00017314-01

    61. Ncgc00179547-01

    62. Ac-34043

    63. As-17759

    64. Cas-476-70-0

    65. Smr001233248

    66. Cs-0013445

    67. C09365

    68. 1,10-dimethoxy-6a-.alpha.-aporphine-2,9-diol

    69. 476b700

    70. 6a.alpha.-aporphine-2,9-diol, 1,10-dimethoxy-

    71. A872092

    72. Q2070105

    73. 1,10-dimethoxy-6a.alpha.-aporphine-2,9-diol

    74. Brd-k03440695-001-02-6

    75. Boldine, European Pharmacopoeia (ep) Reference Standard

    76. 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-2,9-diol, (s)-

    77. (6as)-5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-4h-dibenzo(de,g)quinoline-2,9-diol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 327.4 g/mol
    Molecular Formula C19H21NO4
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass327.14705815 g/mol
    Monoisotopic Mass327.14705815 g/mol
    Topological Polar Surface Area62.2 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity461
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    Neuromuscular Depolarizing Agents

    Drugs that interrupt transmission at the skeletal neuromuscular junction by causing sustained depolarization of the motor end plate. These agents are primarily used as adjuvants in surgical anesthesia to cause skeletal muscle relaxation. (See all compounds classified as Neuromuscular Depolarizing Agents.)