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    Dimemorfanphosphate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 36304-84-4, Astomin, Dimemorfan phosphate [jan], S203y5y1qp, Dimemorfan (phosphate), (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
    Molecular Formula
    C18H28NO4P
    Molecular Weight
    353.4  g/mol
    InChI Key
    ODJHDWLIOUGPPA-URVXVIKDSA-N
    FDA UNII
    S203Y5Y1QP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
    2.1.2 InChI
    InChI=1S/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)/t15-,17+,18+;/m1./s1
    2.1.3 InChI Key
    ODJHDWLIOUGPPA-URVXVIKDSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
    2.1.5 Isomeric SMILES
    CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    S203Y5Y1QP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Astomin

    2. At 17

    3. D-3-methyl-n-methylmorphinan

    4. Dastosin

    5. Dimemorfan

    6. Dimemorfan Phosphate (1:1) Salt

    7. Dimemorfan, (9alpha,13alpha,14alpha)-isomer

    8. Dinemorphan

    2.3.2 Depositor-Supplied Synonyms

    1. 36304-84-4

    2. Astomin

    3. Dimemorfan Phosphate [jan]

    4. S203y5y1qp

    5. Dimemorfan (phosphate)

    6. (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric Acid

    7. 3,17-dimethylmorphinan

    8. Gentus

    9. At-17 Phosphate

    10. Unii-s203y5y1qp

    11. Einecs 252-958-6

    12. D-3-methyl-n-methylmorphinan Phosphate

    13. Ncgc00182065-02

    14. Dsstox_cid_28649

    15. Dsstox_rid_82919

    16. Dsstox_gsid_48723

    17. Schembl355270

    18. Chembl3188434

    19. Dtxsid4048723

    20. Dimemorfan Phosphate [mi]

    21. 3,17-dimethyl-9-alpha,13-alpha,14-alpha-morphinan Phosphate

    22. (9-alpha,13-alpha,14-alpha)-3,17-dimethylmorphinan Phosphate

    23. Hy-b2215

    24. Tox21_113138

    25. (9alpha,13alpha,14alpha)-3,17-dimethylmorphinan Dihydrogen Phosphate

    26. Dimemorfan Phosphate [mart.]

    27. S5280

    28. Dimemorfan Phosphate [who-dd]

    29. Akos015994725

    30. Ccg-268065

    31. Cs-7664

    32. Ks-1259

    33. 3,17-dimethylmorphinan Phosphate

    34. Cas-36304-84-4

    35. Morphinan, 3,17-dimethyl-, Phosphate (1:1)

    36. Q27288466

    37. Morphinan, 3,17-dimethyl-, (9-alpha,13-alpha,14-alpha)-, Phosphate (1:1)

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 353.4 g/mol
    Molecular Formula C18H28NO4P
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass353.17559537 g/mol
    Monoisotopic Mass353.17559537 g/mol
    Topological Polar Surface Area81 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity401
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antitussive Agents

    Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. (See all compounds classified as Antitussive Agents.)