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    Technical details about Tabersonine, learn more about the structure, uses, toxicity, action, side effects and more

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    Tabersonine

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: Tabersonin, 4429-63-4, (-)-tabersonine, Mn955k48nb, Chebi:16776, Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5alpha,12beta,19alpha)-
    Molecular Formula
    C21H24N2O2
    Molecular Weight
    336.4  g/mol
    InChI Key
    FNGGIPWAZSFKCN-ACRUOGEOSA-N
    FDA UNII
    MN955K48NB
    tabersonine is a natural product found in Voacanga schweinfurthii, Tabernaemontana citrifolia, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
    2.1.2 InChI
    InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1
    2.1.3 InChI Key
    FNGGIPWAZSFKCN-ACRUOGEOSA-N
    2.1.4 Canonical SMILES
    CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC
    2.1.5 Isomeric SMILES
    CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    MN955K48NB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tabersonine Monoacetate

    2.3.2 Depositor-Supplied Synonyms

    1. Tabersonin

    2. 4429-63-4

    3. (-)-tabersonine

    4. Mn955k48nb

    5. Chebi:16776

    6. Aspidospermidine-3-carboxylic Acid, 2,3,6,7-tetradehydro-, Methyl Ester, (5alpha,12beta,19alpha)-

    7. (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic Acid, Methyl Ester

    8. Methyl (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate

    9. Methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate

    10. Einecs 224-615-0

    11. Brn 0050163

    12. Devil's Claw Extract

    13. Unii-mn955k48nb

    14. 4-25-00-00997 (beilstein Handbook Reference)

    15. Schembl829379

    16. Amy596

    17. Chembl2011511

    18. Tabersonine, >=95% (hplc)

    19. Dtxsid30196102

    20. Hms3887m03

    21. Hy-n1431

    22. Mfcd28140545

    23. Nsc815334

    24. S9427

    25. Zinc56871302

    26. Akos015896776

    27. Ccg-267873

    28. Nsc-815334

    29. 3a-ethyl-3a,4,6,11,12,13a-hexahydro-1h-indolizino[8,1-cd]carbazole-5-carboxylic Acid Methyl Ester

    30. Ac-26458

    31. Aspidospermidine-3-carboxylic Acid, 2,3,6,7-tetradehydro-, Methyl Ester, (5.alpha.,12.beta.,19.alpha.)-

    32. Aspidospermidine-3-carboxylic Acid, 2,3,6,7-tetrahydro-, Methyl Ester, (5-alpha,12-beta,19-alpha)-

    33. Cs-0016859

    34. C09244

    35. Q21099578

    36. 1h-indolizino(8,1-cd)carbazole-5-carboxylic Acid, 3a-ethyl-3a,4,6,11,12,13a-hexahydro-, Methyl Ester

    37. Aspidospermidine-3-carboxylic Acid, 2,3,6,7-tetradehydro-, Methyl Ester, (5.alpha.,12r,19.alpha.)-

    38. Methyl (1r,12r,19s)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 336.4 g/mol
    Molecular Formula C21H24N2O2
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass336.183778013 g/mol
    Monoisotopic Mass336.183778013 g/mol
    Topological Polar Surface Area41.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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