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

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    Scopine

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 498-45-3, 6,7-epoxytropine, (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, Z5lgm3q28u, 498-46-4, (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
    Molecular Formula
    C8H13NO2
    Molecular Weight
    155.19  g/mol
    InChI Key
    FIMXSEMBHGTNKT-UPGAHCIJSA-N
    FDA UNII
    Z5LGM3Q28U
    scopine is a natural product found in Datura stramonium with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
    2.1.2 InChI
    InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4?,5-,6+,7-,8+
    2.1.3 InChI Key
    FIMXSEMBHGTNKT-UPGAHCIJSA-N
    2.1.4 Canonical SMILES
    CN1C2CC(CC1C3C2O3)O
    2.1.5 Isomeric SMILES
    CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O
    2.2 Other Identifiers
    2.2.1 UNII
    Z5LGM3Q28U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 498-45-3

    2. 6,7-epoxytropine

    3. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

    4. Z5lgm3q28u

    5. 498-46-4

    6. (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

    7. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

    8. Pseudoscopine

    9. Scopanol

    10. Scopin

    11. 7-epoxytropine

    12. (1?,2?,4?,5?,7?)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

    13. Unii-z5lgm3q28u

    14. Schembl9889341

    15. Chembl4303435

    16. Chembl4303536

    17. Schembl18577687

    18. Dtxsid301151677

    19. Dtxsid801030466

    20. Hms3656m14

    21. Hms3884d08

    22. Act03268

    23. Hy-b0459

    24. Mfcd06658282

    25. S2545

    26. Akos015919589

    27. Akos025400980

    28. Zinc100009342

    29. Zinc110347065

    30. Ac-3388

    31. Ccg-266261

    32. S0912

    33. Sw219096-1

    34. Ab01566856_01

    35. 498s453

    36. A871709

    37. Q7434451

    38. 1.alpha.h,5.alpha.h-tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-

    39. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol

    40. (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol

    41. 3-oxa-9-azatricyclo(3.3.1.0(2,4))nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7beta)-

    42. 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7alpha)-

    2.4 Create Date
    2005-07-10
    3 Chemical and Physical Properties
    Molecular Weight 155.19 g/mol
    Molecular Formula C8H13NO2
    XLogP3-0.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass155.094628657 g/mol
    Monoisotopic Mass155.094628657 g/mol
    Topological Polar Surface Area36 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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