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    Pitofenone Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    ANALYTICAL

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,099Xls

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    2D Structure
    Also known as: 1248-42-6, Pitofenone hcl, Pitophenone hydrochloride, He1za4zbex, Baralgin, Baralginketone
    Molecular Formula
    C22H26ClNO4
    Molecular Weight
    403.9  g/mol
    InChI Key
    ZRFIFDFEDPJBII-UHFFFAOYSA-N
    FDA UNII
    HE1ZA4ZBEX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
    2.1.3 InChI Key
    ZRFIFDFEDPJBII-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    HE1ZA4ZBEX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Baralginketone

    2. Methyl 2-(4-(2-piperid-1-ylethoxy)benzoyl) Benzoate

    3. Pitofenone

    4. Pitophenon

    2.3.2 Depositor-Supplied Synonyms

    1. 1248-42-6

    2. Pitofenone Hcl

    3. Pitophenone Hydrochloride

    4. He1za4zbex

    5. Baralgin

    6. Baralginketone

    7. Benzoic Acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, Methyl Ester, Hydrochloride (1:1)

    8. Bulgarketone

    9. Methyl 2-(4-(2-piperidinoethoxy)benzoyl)benzoate Hydrochloride

    10. Methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate Hydrochloride

    11. Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate Hydrochloride

    12. Dsstox_cid_26461

    13. Dsstox_rid_81635

    14. Dsstox_gsid_46461

    15. Methyl 2-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)benzoate Hydrochloride

    16. Cas-1248-42-6

    17. Unii-he1za4zbex

    18. Ncgc00164586-01

    19. Einecs 214-999-8

    20. Pitofenonehydrochloride

    21. Pitophenone Hcl

    22. O-(p-(2-piperidinoethoxy)benzoyl)benzoic Acid Methyl Ester Hydrochloride

    23. Benzoic Acid, O-(p-(2-piperidinoethoxy)benzoyl)-, Methyl Ester, Hydrochloride

    24. Benzoic Acid, 2-(4-(2-(1-piperidinyl)ethoxy)benzoyl)-, Methyl Ester, Hydrochloride

    25. Baralgin Ketone Hydrochloride

    26. Schembl4389235

    27. Chembl2359023

    28. Dtxsid7046461

    29. Tox21_112212

    30. Methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride

    31. Akos037515594

    32. Tox21_112212_1

    33. Pitofenone Hydrochloride [mart.]

    34. Ncgc00164586-02

    35. Pitofenone Hydrochloride [who-dd]

    36. Bs-14806

    37. Hy-110389

    38. Cs-0034673

    39. Ft-0673951

    40. L10148

    41. Methyl 2-(4-(2-piperidinoethoxy)benzoyl)benzoate Hcl

    42. Q27279883

    43. 4'-(beta-piperidinoethoxy)-2-(carbomethoxy)benzophenone Etaydrochloride

    44. 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzoic Acid Methyl Ester Hydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 403.9 g/mol
    Molecular Formula C22H26ClNO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass403.1550360 g/mol
    Monoisotopic Mass403.1550360 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity481
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2