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    Technical details about Brifentanil, learn more about the structure, uses, toxicity, action, side effects and more

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    Brifentanil

    INTERMEDIATES

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Brifentanil [inn], 101345-71-5, 6gdt77pqbw, N-[(3r,4s)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide, Brifentanilum, Brifentanyl
    Molecular Formula
    C20H29FN6O3
    Molecular Weight
    420.5  g/mol
    InChI Key
    KKMGCTVJCQYQPV-WBVHZDCISA-N
    FDA UNII
    6GDT77PQBW
    Brifentanil (also known as A-3331) is an analog of fentanyl, a potent opioid. This drug is classified as an opioid analgesic and was developed in the early 1990s. The effects of brifentanil are very similar to those of alfentanil, with strong but short lasting analgesia and sedation, and particularly notable itching and respiratory depression.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide
    2.1.2 InChI
    InChI=1S/C20H29FN6O3/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21/h5-8,15,17H,4,9-14H2,1-3H3/t15-,17+/m1/s1
    2.1.3 InChI Key
    KKMGCTVJCQYQPV-WBVHZDCISA-N
    2.1.4 Canonical SMILES
    CCN1C(=O)N(N=N1)CCN2CCC(C(C2)C)N(C3=CC=CC=C3F)C(=O)COC
    2.1.5 Isomeric SMILES
    CCN1C(=O)N(N=N1)CCN2CC[C@@H]([C@@H](C2)C)N(C3=CC=CC=C3F)C(=O)COC
    2.2 Other Identifiers
    2.2.1 UNII
    6GDT77PQBW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-(4-ethyl-4,5-dihydro-5-oxo1h-tetrazolyl)ethyl)-3-methyl-4-(n-(2-fluorophenyl)methoxyacetamido)piperidine

    2. A 3331

    3. A-3331

    4. A-3331.hcl

    5. Brifentanil Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. Brifentanil [inn]

    2. 101345-71-5

    3. 6gdt77pqbw

    4. N-[(3r,4s)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide

    5. Brifentanilum

    6. Brifentanyl

    7. N-[(3s,4r)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide

    8. Brifentanilo

    9. Unii-6gdt77pqbw

    10. Brifentanilum [inn-latin]

    11. Brifentanilo [inn-spanish]

    12. A-3331-

    13. Brifentanil [who-dd]

    14. Schembl488879

    15. Dtxsid20143867

    16. Db09172

    17. Q4967117

    18. (+/-)-cis-n-(1-(2-(4-ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-3-methyl-4-piperidyl)-2'-fluoro-2-methoxyacetanilide

    19. Acetamide, N-((3r,4s)-1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Rel-

    20. Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Cis-

    21. Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Cis-(+/-)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C20H29FN6O3
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass420.22851697 g/mol
    Monoisotopic Mass420.22851697 g/mol
    Topological Polar Surface Area81 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity636
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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