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    Deudextromethorphan Hydrobromide

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1373497-18-7, D6-dm hydrobromide, Dextromethorphan d6 hbr hydrate, Dextromethorphan d6 hydrobromide monohydrate, W9f1od5n5j, D6-dm hydrobromide monohydrate
    Molecular Formula
    C18H28BrNO2
    Molecular Weight
    376.4  g/mol
    InChI Key
    STTADZBLEUMJRG-CDZAPMPLSA-N
    FDA UNII
    W9F1OD5N5J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,9S,10S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide
    2.1.2 InChI
    InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1/i1D3,2D3;;
    2.1.3 InChI Key
    STTADZBLEUMJRG-CDZAPMPLSA-N
    2.1.4 Canonical SMILES
    CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.O.Br
    2.1.5 Isomeric SMILES
    [2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC([2H])([2H])[2H].O.Br
    2.2 Other Identifiers
    2.2.1 UNII
    W9F1OD5N5J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1373497-18-7

    2. D6-dm Hydrobromide

    3. Dextromethorphan D6 Hbr Hydrate

    4. Dextromethorphan D6 Hydrobromide Monohydrate

    5. W9f1od5n5j

    6. D6-dm Hydrobromide Monohydrate

    7. (1s,9s,10s)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide

    8. Deudextromethorphan Hydrobromide [usan]

    9. Deudextromethorphan Hydrobromide Monohydrate

    10. Deudextromethorphan Hydrobromide (usan)

    11. Unii-w9f1od5n5j

    12. Dextromethorphan Hydrobromide, Deuterated (d6)

    13. Chembl3989946

    14. Morphinan, 3-(methoxy-d3)-17-(methyl-d3)-, (9alpha,13alpha,14alpha)-hydrobromide Monohydrate

    15. D11153

    16. Q27292496

    17. Avp-786 Component Deudextromethorphan Hydrobromide

    18. Deudextromethorphan Hydrobromide Component Of Avp-786

    19. 3-((2h3)methoxy)-17-((2h3)methyl)-ent-morphinan Hydrobromide Monohydrate

    20. Morphinan, 3-(methoxy-d3)-17-(methyl-d3)-, (9.alpha.,13.alpha.,14.alpha.)-hydrobromide Monohydrate

    2.4 Create Date
    2015-02-20
    3 Chemical and Physical Properties
    Molecular Weight 376.4 g/mol
    Molecular Formula C18H28BrNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass375.16800 g/mol
    Monoisotopic Mass375.16800 g/mol
    Topological Polar Surface Area13.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity370
    Isotope Atom Count6
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3