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    Chemistry

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    Also known as: Nalfurafine hydrochloride, 152658-17-8, Trk-820, Nopicor, 25cc4n0p8j, Refchem:831697
    Molecular Formula
    C28H33ClN2O5
    Molecular Weight
    513.0  g/mol
    InChI Key
    DJSFYNINGIMKAG-FQJQBBMWSA-N
    FDA UNII
    25CC4N0P8J
    Nalfurafine Hydrochloride
    1 2D Structure

    Nalfurafine Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1
    2.1.3 InChI Key
    DJSFYNINGIMKAG-FQJQBBMWSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    25CC4N0P8J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nalfurafine Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. Nalfurafine Hydrochloride

    2. 152658-17-8

    3. Trk-820

    4. Nopicor

    5. 25cc4n0p8j

    6. Refchem:831697

    7. Nalfurafine Hcl

    8. Remitch

    9. Nalfurafine (hydrochloride)

    10. Trk-820 Hydrochloride

    11. (e)-n-[(4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-n-methylprop-2-enamide;hydrochloride

    12. 2-propenamide,n-[(5a,6b)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-n-methyl-, Monohydrochloride, (2e)-

    13. Chembl490665

    14. (e)-n-(17-(cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl)-3-(furan-3-yl)-n-methylprop-2-enamide Monohydrochloride

    15. Remitch (tn)

    16. Unii-25cc4n0p8j

    17. Nalfurafine Hydrochloride [usan]

    18. (2e)-n-[(5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-n-methyl-2-propenamide Hydrochloride; (-)-17-(cyclopropylmethyl)-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[n-methyl-trans-3-(3-furyl)acrylamido]morphinan Hydrochloride; Remitch; Trk 820;

    19. (e)-n-[17-(cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl]-3-(furan-3-yl)-n-methylprop-2-enamide Monohydrochloride

    20. Ac 820

    21. Nalfurafine Hydrochloride [usan:jan]

    22. 17-cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[n-methyl-trans-3-(3-furyl)acrylamido]morphinan Hydrochloride

    23. Nalfurafine Hydrochloride?

    24. Orb611576

    25. Schembl19856501

    26. Schembl29377317

    27. Dtxsid70426071

    28. Glxc-10447

    29. Ex-a2892

    30. Hy-12745a

    31. Nalfurafine Hydrochloride (jan/usan)

    32. Nalfurafine Hydrochloride [mi]

    33. Akos030526574

    34. Nalfurafine Hydrochloride [jan]

    35. Nalfurafine Hydrochloride [mart.]

    36. (-)-17-(cyclopropylmethyl-3,14 Beta-dihydroxy-4,5 Alpha-epoxy-6 Beta-(n-methyl-trans-3-(3-furyl)acrylamido)morphinan Hydrochloride

    37. 2-propenamide, N-((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-n-methyl-, Monohydrochloride, (2e)-

    38. Ac-32785

    39. Da-75979

    40. Nalfurafine Hydrochloride [who-dd]

    41. Ts-08357

    42. D06405

    43. Q27253946

    44. Nalfurafine Hydrochloride(discontinued,see C4x-12682)

    45. (-)-17-(cyclopropylmethyl-3,14.beta.-dihydroxy-4,5.alpha.-epoxy-6.beta.-(n-methyl-trans-3-(3-furyl)acrylamid)morphinan Hydrochloride

    46. (2e)-n-[17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6beta-yl]-3-(furan-3-yl)-n-methylprop-2-enamide--hydrogen Chloride (1/1)

    47. 2-propenamide, N-((5.alpha.,6.beta.)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-n-methyl-, Monohydrochloride, (2e)-

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 513.0 g/mol
    Molecular Formula C28H33ClN2O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area86.4
    Heavy Atom Count36
    Formal Charge0
    Complexity893
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Severe uraemic pruritus

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