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    Also known as: 85700-55-6, Scopine hcl, Scopine (hydrochloride), 6,7-epoxytropine hydrochloride, (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol hydrochloride, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride
    Molecular Formula
    C8H14ClNO2
    Molecular Weight
    191.65  g/mol
    InChI Key
    BBBRAOXIMQHVCR-QYRWGYAXSA-N
    CAS 85700-55-6
    1 2D Structure

    CAS 85700-55-6

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

    1. 85700-55-6

    2. Scopine Hcl

    3. Scopine (hydrochloride)

    4. 6,7-epoxytropine Hydrochloride

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

    6. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol Hydrochloride

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

    8. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol Hydrochloride

    9. Einecs 288-237-8

    10. Mls006011115

    11. Hy-b0459a

    12. Act04778

    13. Mfcd00058097

    14. Akos006275399

    15. As-35174

    16. Smr004702896

    17. Sw219096-2

    18. 700s556

    19. A863466

    20. Q-201702

    21. (1s,2s,4r,5r)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride

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

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 191.65 g/mol
    Molecular Formula C8H14ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass191.0713064 g/mol
    Monoisotopic Mass191.0713064 g/mol
    Topological Polar Surface Area36 Ų
    Heavy Atom Count12
    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 Count2

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    Alkaloids Private Limited

    Scopine Hydrochloride
    SCOPE Summit
    Not Confirmed
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    Alkaloids Private Limited

    India
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    SCOPE Summit
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    Scopine Hydrochloride

    CAS Number : 85700-55-6

    End Use API :

    End Use API : Tiotropium Bromide

    About the Company : Alkaloids Private Limited is committed to excellence in every step of our manufacturing process. We begin with premium raw materials and state-of-the-art facilities, implementing rigoro...

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    END USE APIs

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    01

    Tiotropium Bromide

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    Shanghai Minbiotech

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    Shanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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