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    Dimemorfan

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dimemorfan [inn], 3,17-dimethylmorphinan, 36309-01-0, 36304-82-2, (+)-3,17-dimethylmorphinan, 623oac38yu
    Molecular Formula
    C18H25N
    Molecular Weight
    255.4  g/mol
    InChI Key
    KBEZZLAAKIIPFK-NJAFHUGGSA-N
    FDA UNII
    623OAC38YU
    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
    2.1.2 InChI
    InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
    2.1.3 InChI Key
    KBEZZLAAKIIPFK-NJAFHUGGSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1
    2.1.5 Isomeric SMILES
    CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1
    2.2 Other Identifiers
    2.2.1 UNII
    623OAC38YU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Astomin

    2. At 17

    3. D-3-methyl-n-methylmorphinan

    4. Dastosin

    5. Dimemorfan Phosphate

    6. Dimemorfan Phosphate (1:1) Salt

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

    8. Dinemorphan

    2.3.2 Depositor-Supplied Synonyms

    1. Dimemorfan [inn]

    2. 3,17-dimethylmorphinan

    3. 36309-01-0

    4. 36304-82-2

    5. (+)-3,17-dimethylmorphinan

    6. 623oac38yu

    7. Dimemorfane

    8. Dimemorphan

    9. Dimemorfano

    10. Dimemorfanum

    11. (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

    12. D-3-methyl-n-methylmorphinan

    13. 3,n-dimethylmorphinan

    14. N,3-dimethylmorphinan

    15. At 17

    16. Dimemorfane [inn-french]

    17. Dimemorfanum [inn-latin]

    18. Dimemorfano [inn-spanish]

    19. Unii-623oac38yu

    20. 3,n-dimethylmorphinan [iupac]

    21. Einecs 252-963-3

    22. Dimemorfan [mi]

    23. Dimemorfan [who-dd]

    24. Schembl499349

    25. Chembl2106325

    26. Chebi:135048

    27. Dtxsid301043335

    28. Zinc4215661

    29. Db13810

    30. Q5277240

    31. Morphinan, 3,17-dimethyl-, (9alpha,13alpha,14alpha)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 255.4 g/mol
    Molecular Formula C18H25N
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass255.198699802 g/mol
    Monoisotopic Mass255.198699802 g/mol
    Topological Polar Surface Area3.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity352
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)

    4.2 ATC Code

    R - Respiratory system

    R05 - Cough and cold preparations

    R05D - Cough suppressants, excl. combinations with expectorants

    R05DA - Opium alkaloids and derivatives

    R05DA11 - Dimemorfan