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    Trefentanil

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 120656-74-8, Trefentanil [inn], 36qm58lvgu, A-3665, N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-n-(2-fluorophenyl)propanamide, Unii-36qm58lvgu
    Molecular Formula
    C25H31FN6O2
    Molecular Weight
    466.6  g/mol
    InChI Key
    RJSCINHYBGMIFT-UHFFFAOYSA-N
    FDA UNII
    36QM58LVGU
    Trefentanil (A-3665) is a fentanyl analogue opioid developed in 1992. It is more potent and shorter acting than alfentanil. Trefentanil is not used in clinics due to the severity of its respiratory depression, though it is still used in research.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide
    2.1.2 InChI
    InChI=1S/C25H31FN6O2/c1-3-23(33)32(22-13-9-8-12-21(22)26)25(20-10-6-5-7-11-20)14-16-29(17-15-25)18-19-31-24(34)30(4-2)27-28-31/h5-13H,3-4,14-19H2,1-2H3
    2.1.3 InChI Key
    RJSCINHYBGMIFT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N(C1=CC=CC=C1F)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)C4=CC=CC=C4
    2.2 Other Identifiers
    2.2.1 UNII
    36QM58LVGU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. A 3665

    2. A-3665

    2.3.2 Depositor-Supplied Synonyms

    1. 120656-74-8

    2. Trefentanil [inn]

    3. 36qm58lvgu

    4. A-3665

    5. N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-n-(2-fluorophenyl)propanamide

    6. Unii-36qm58lvgu

    7. Trefentanyl

    8. Trefentanil [mart.]

    9. Trefentanil [who-dd]

    10. Chembl84617

    11. Schembl397177

    12. A-3665 Free Base

    13. Dtxsid80152955

    14. Db09181

    15. L001379

    16. Q7837766

    17. N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-4-phenyl-4-piperidinyl)-n-(2-fluorophenyl)propanamide

    18. Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-4-phenyl-4-piperidinyl)-n-(2-fluorophenyl)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 466.6 g/mol
    Molecular Formula C25H31FN6O2
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass466.24925241 g/mol
    Monoisotopic Mass466.24925241 g/mol
    Topological Polar Surface Area71.8 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity735
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1