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    CAS 61086-18-8

    PharmaCompass
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    2D Structure
    Also known as: 61086-18-8, Norsufentanil, N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide, N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide, Io6g3l550q, N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropionamide
    Molecular Formula
    C16H24N2O2
    Molecular Weight
    276.37  g/mol
    InChI Key
    ULOZGJWEIWAWML-UHFFFAOYSA-N
    FDA UNII
    IO6G3L550Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
    2.1.2 InChI
    InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3
    2.1.3 InChI Key
    ULOZGJWEIWAWML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC
    2.2 Other Identifiers
    2.2.1 UNII
    IO6G3L550Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-mppp

    2. N-(4-(methoxymethyl)-4-piperidinyl)-n-phenylpropanamide

    3. Noralfentanil, (phenyl-3-t)-labeled Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 61086-18-8

    2. Norsufentanil

    3. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide

    4. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide

    5. Io6g3l550q

    6. N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropionamide

    7. Unii-io6g3l550q

    8. N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropanamide

    9. Einecs 262-598-1

    10. N-[4-(methoxymethyl)-4-piperidinyl]-n-phenylpropanamide

    11. Schembl3168327

    12. Dtxsid90209964

    13. Chebi:174649

    14. Zinc5768112

    15. Sufentanil Impurity A [ep Impurity]

    16. R30451

    17. R-30451

    18. Sufentanil Citrate Impurity A [ep Impurity]

    19. Q27280822

    20. Alfentanil Hydrochloride Hydrate Impurity C [ep Impurity]

    21. Propanamide, N-(4-(methoxymethyl)-4-piperidinyl)-n-phenyl-

    22. 4-(n-(1-oxopropyl)-n-phenylamino)-4-(methoxymethyl)piperidine

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 276.37 g/mol
    Molecular Formula C16H24N2O2
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass276.183778013 g/mol
    Monoisotopic Mass276.183778013 g/mol
    Topological Polar Surface Area41.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity308
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Noralfentanil is a known human metabolite of alfentanil.

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