loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about 3-O-Methyl Norbuprenorphine, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Polpharma is a Polish CDMO of APIs and a significant European API producer, delivering products to companies worldwide.

    Virtual Booth

    Contact Supplier

    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-09-09

    Virtual Booth

    Contact Supplier

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

    Virtual Booth

    Contact Supplier

    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-09-09

    Virtual Booth

    Contact Supplier

    Menu

    3-O-Methyl Norbuprenorphine

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 16614-59-8, 2-[(1s,2s,6r,14r,15r,16r)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol, Schembl9986908, Dtxsid40673055
    Molecular Formula
    C26H37NO4
    Molecular Weight
    427.6  g/mol
    InChI Key
    GUFHEIAUPRGDNQ-ALONWEKESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
    2.1.2 InChI
    InChI=1S/C26H37NO4/c1-22(2,3)23(4,28)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27-18(24)13-15-7-8-16(29-5)20(31-21)19(15)25/h7-8,17-18,21,27-28H,9-14H2,1-6H3/t17-,18-,21-,23?,24-,25+,26-/m1/s1
    2.1.3 InChI Key
    GUFHEIAUPRGDNQ-ALONWEKESA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)OC)O4)OC)O
    2.1.5 Isomeric SMILES
    CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)OC)O4)OC)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16614-59-8

    2. 2-[(1s,2s,6r,14r,15r,16r)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

    3. Schembl9986908

    4. Dtxsid40673055

    2.3 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 427.6 g/mol
    Molecular Formula C26H37NO4
    XLogP34.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass427.27225866 g/mol
    Monoisotopic Mass427.27225866 g/mol
    Topological Polar Surface Area60 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity767
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1