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    Chemistry

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    Also known as: Ethylmorphine hcl, Codethyline hydrochloride, 125-30-4, O-ethylmorphine hydrochloride, Mfm5450p3t, (4r,4ar,7s,7ar,12bs)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride
    Molecular Formula
    C19H24ClNO3
    Molecular Weight
    349.8  g/mol
    InChI Key
    ZPPBASOODYCKDP-YZZSNFJZSA-N
    FDA UNII
    MFM5450P3T
    Ethylmorphine Hydrochloride
    1 2D Structure

    Ethylmorphine Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H23NO3.ClH/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;/h4-7,12-14,18,21H,3,8-10H2,1-2H3;1H/t12-,13+,14-,18-,19-;/m0./s1
    2.1.3 InChI Key
    ZPPBASOODYCKDP-YZZSNFJZSA-N
    2.1.4 Canonical SMILES
    CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1.Cl
    2.1.5 Isomeric SMILES
    CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    MFM5450P3T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ethylmorphine Hcl

    2. Codethyline Hydrochloride

    3. 125-30-4

    4. O-ethylmorphine Hydrochloride

    5. Mfm5450p3t

    6. (4r,4ar,7s,7ar,12bs)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

    7. Dionin Hydrochloride

    8. Dionine Hydrochloride

    9. Unii-mfm5450p3t

    10. 3-o-ethylmorphine Hydrochloride

    11. Einecs 204-734-4

    12. Ethylmorphine Hydrochloride [jan:nf]

    13. Schembl220710

    14. Chembl2107695

    15. Dtxsid70924986

    16. Ethylmorphine Hydrochloride [who-dd]

    17. Ethylmorphine Hydrochloride [ep Monograph]

    18. Ethylmorphine Hydrochloride Anhydrous [mi]

    19. Q26840900

    20. Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-, Hydrochloride

    21. (5.alpha.,6.alpha.)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol Hydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 349.8 g/mol
    Molecular Formula C19H24ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass349.1444713 g/mol
    Monoisotopic Mass349.1444713 g/mol
    Topological Polar Surface Area41.9 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity523
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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