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    Flibanserin Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,579Xls

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    2D Structure
    Also known as: 147359-76-0, Flibanserin hcl, Flibaserin, Flibanserin hydrochloride [mi], Flibanserin (hydrochloride), 96xtc36k1b
    Molecular Formula
    C20H22ClF3N4O
    Molecular Weight
    426.9  g/mol
    InChI Key
    XGAGFLQFMFCIHZ-UHFFFAOYSA-N
    FDA UNII
    96XTC36K1B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H
    2.1.3 InChI Key
    XGAGFLQFMFCIHZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    96XTC36K1B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 147359-76-0

    2. Flibanserin Hcl

    3. Flibaserin

    4. Flibanserin Hydrochloride [mi]

    5. Flibanserin (hydrochloride)

    6. 96xtc36k1b

    7. 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1h-benzimidazol-2-one;hydrochloride

    8. 1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1h-benzo[d]imidazol-2(3h)-one Hydrochloride

    9. 2h-benzimidazol-2-one, 1,3-dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, Hydrochloride

    10. 1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1,3-dihydro-2h-benzo[d]imidazol-2-one Hydrochloride

    11. Unii-96xtc36k1b

    12. Flibanserinhydrochloride

    13. Bimt 17 Hydrochloride

    14. Bimt 17bs Hydrochloride

    15. Schembl563586

    16. Hy-a0095a

    17. Amy16553

    18. Bcp15754

    19. Ex-a2808

    20. Xfa35976

    21. Mfcd29058559

    22. Akos026674090

    23. Ds-9963

    24. 2h-benzimidazol-2-one, 1,3-dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, Hydrochloride (1:1)

    25. Ac-31715

    26. Cs-0027380

    27. A925155

    28. Q27271942

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 426.9 g/mol
    Molecular Formula C20H22ClF3N4O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass426.1434235 g/mol
    Monoisotopic Mass426.1434235 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity550
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2