loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Pelubiprofen

    APIs // Active Pharmaceutical Ingredients

    MARKET PLACE

    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: 69956-77-0, Pelubiprofen [inn], Rs-2131, Cs-670, 2-[4-[(e)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid, 1619c79fvj
    Molecular Formula
    C16H18O3
    Molecular Weight
    258.31  g/mol
    InChI Key
    AUZUGWXLBGZUPP-GXDHUFHOSA-N
    FDA UNII
    1619C79FVJ
    Pelubiprofen has been investigated for the treatment of Chronic Back Pain.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
    2.1.2 InChI
    InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
    2.1.3 InChI Key
    AUZUGWXLBGZUPP-GXDHUFHOSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=C(C=C1)C=C2CCCCC2=O)C(=O)O
    2.1.5 Isomeric SMILES
    CC(C1=CC=C(C=C1)/C=C/2\CCCCC2=O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    1619C79FVJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-((2-oxocyclohexylidene)methyl)phenyl)propionic Acid

    2. 2-ocmpp

    3. Cs 670

    4. Cs-670

    2.3.2 Depositor-Supplied Synonyms

    1. 69956-77-0

    2. Pelubiprofen [inn]

    3. Rs-2131

    4. Cs-670

    5. 2-[4-[(e)-(2-oxocyclohexylidene)methyl]phenyl]propanoic Acid

    6. 1619c79fvj

    7. Ncgc00183010-01

    8. 2-ocmpp

    9. Unii-1619c79fvj

    10. Cs 670

    11. Pelubiprofen (jan/inn)

    12. Pelubiprofen [jan]

    13. Dsstox_cid_28721

    14. Dsstox_rid_82990

    15. Dsstox_gsid_48795

    16. Dw330sr

    17. Chembl69308

    18. Pelubiprofen [who-dd]

    19. Schembl188062

    20. Dw-330sr

    21. Gtpl9876

    22. Dtxsid2048795

    23. (+-)-p-(((e)-2-oxocyclohexylidene)methyl)hydratropic Acid

    24. Tox21_113272

    25. Db12150

    26. Compound 13b [pmid: 6607354]

    27. Hy-12383

    28. Cas-69956-77-0

    29. Cs-0011235

    30. D01865

    31. Q27251763

    32. (e)-2-[4-[(2-oxocyclohexylidene)methyl]phenyl]propanoic Acid

    33. Benzeneacetic Acid, Alpha-methyl-4-((2-oxocyclohexylidene)methyl)-

    34. [r,(?)]-2-[4-[((e)-2-oxocyclohexylidene)methyl]phenyl]propionic Acid

    35. [s,(+)]-2-[4-[((e)-2-oxocyclohexylidene)methyl]phenyl]propionic Acid

    36. Benzeneacetic Acid, .alpha.-methyl-4-((2-oxocyclohexylidene)methyl)-, (e)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 258.31 g/mol
    Molecular Formula C16H18O3
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass258.125594432 g/mol
    Monoisotopic Mass258.125594432 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity376
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY