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    Technical details about C18H23NO3.C4H6O6, learn more about the structure, uses, toxicity, action, side effects and more

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    C18H23NO3.C4H6O6

    APIs // Active Pharmaceutical Ingredients

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    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: Dihydrocodeine bitartrate cii, Dihydrocodeine hydrogen tartrate, Nsc-117857, Schembl452825, Chembl2062266, (4r,4ar,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2,3-dihydroxybutanedioic acid
    Molecular Formula
    C22H29NO9
    Molecular Weight
    451.5  g/mol
    InChI Key
    ZGSZBVAEVPSPFM-FFHNEAJVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C18H23NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,13-,17-,18-;/m0./s1
    2.1.3 InChI Key
    ZGSZBVAEVPSPFM-FFHNEAJVSA-N
    2.1.4 Canonical SMILES
    CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O.C(C(C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dihydrocodeine Bitartrate Cii

    2. Dihydrocodeine Hydrogen Tartrate

    3. Nsc-117857

    4. Schembl452825

    5. Chembl2062266

    6. (4r,4ar,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2,3-dihydroxybutanedioic Acid

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 451.5 g/mol
    Molecular Formula C22H29NO9
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass451.18423150 g/mol
    Monoisotopic Mass451.18423150 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity605
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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