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    Alphacetylmethadol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 17199-58-5, Alphacemethadone, .alpha.-d-acetylmethadol, Bxf83s0hel, Acscn-9603, Ids-na-008
    Molecular Formula
    C23H31NO2
    Molecular Weight
    353.5  g/mol
    InChI Key
    XBMIVRRWGCYBTQ-XMSQKQJNSA-N
    FDA UNII
    BXF83S0HEL
    A narcotic analgesic with a long onset and duration of action.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1
    2.1.3 InChI Key
    XBMIVRRWGCYBTQ-XMSQKQJNSA-N
    2.1.4 Canonical SMILES
    CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
    2.1.5 Isomeric SMILES
    CC[C@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    BXF83S0HEL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3r,6r)-3-acetoxy-6-dimethylamino-4,4-diphenylheptane

    2. 6-(dimethylamino)-4,4-diphenyl-3-heptanol Acetate

    3. Acemethadone

    4. Acetylmethadol

    5. Amidolacetate

    6. Dimepheptanol

    7. Laam

    8. Levo Alpha Acetylmethadol

    9. Levo-alpha-acetylmethadol

    10. Levoacetylmethadol

    11. Levomethadyl

    12. Levomethadyl Acetate

    13. Levomethadyl Acetate Hydrochloride

    14. Methadol

    15. Methadyl Acetate

    16. Orlaam

    2.3.2 Depositor-Supplied Synonyms

    1. 17199-58-5

    2. Alphacemethadone

    3. .alpha.-d-acetylmethadol

    4. Bxf83s0hel

    5. Acscn-9603

    6. Ids-na-008

    7. (3r,6r)-3-acetoxy-6-dimethylamino-4,4-diphenylheptane

    8. Alfacetilmetadol

    9. Alfacetilmetadolo

    10. Alfacetimethadone

    11. Alphacetylmethadolum

    12. Alpha-d-acetylmethadol

    13. Alfacetilmetadolo [dcit]

    14. Unii-bxf83s0hel

    15. Alfacetilmetadol [inn-spanish]

    16. Alphacetylmethadolum [inn-latin]

    17. Alphacetylmethadol [inn:ban:dcf]

    18. Schembl518398

    19. Alpha-3-acetoxy-6-dimethylamino-4,4-diphenylheptane

    20. Alphacetylmethadol [inn]

    21. Dea No. 9603

    22. (3r,6r)-6-dimethylamino-4,4-diphenyl-3-heptyl Acetat

    23. Alpha-1-ethyl-4-dimethylamino-2,2-diphenylpentylacetat

    24. Chembl2107793

    25. Dtxsid70169198

    26. [(3r,6r)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] Acetate

    27. Zinc2007680

    28. Bdbm50223637

    29. Db01555

    30. Benzeneethanol, Beta-((2r)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, Acetate (ester), (alphar)-

    31. Benzeneethanol, Beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, Acetate (ester), (r-(r*,r*))-

    32. Q4735230

    33. .alpha.-3-acetoxy-6-dimethylamino-4,4-diphenylheptane

    34. 3-heptanol, 6-(dimethylamino)-4,4-diphenyl-, Acetate (ester), (3r,6r)-(+)-

    35. Alpha-cetylmethadol (except Levo-alpha-cetylmethadol Also Known As Levo-alpha-acetylmethadol, Levomethadyl Acetate, Or Laam)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 353.5 g/mol
    Molecular Formula C23H31NO2
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count9
    Exact Mass353.235479232 g/mol
    Monoisotopic Mass353.235479232 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    Analgesics, Opioid

    Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

    4.2 Metabolism/Metabolites

    Alphacetylmethadol has known human metabolites that include norLAAM.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560