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    Citalopram Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 50Xls

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    2D Structure
    Also known as: 85118-27-0, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrochloride, 4dy48g26jy, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3h-2-benzofuran-5-carbonitrile;hydrochloride, Einecs 285-680-9, Unii-4dy48g26jy
    Molecular Formula
    C20H22ClFN2O
    Molecular Weight
    360.9  g/mol
    InChI Key
    FXSXPIKCGLXHAW-UHFFFAOYSA-N
    FDA UNII
    4DY48G26JY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H21FN2O.ClH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
    2.1.3 InChI Key
    FXSXPIKCGLXHAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4DY48G26JY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 85118-27-0

    2. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile Hydrochloride

    3. 4dy48g26jy

    4. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3h-2-benzofuran-5-carbonitrile;hydrochloride

    5. Einecs 285-680-9

    6. Unii-4dy48g26jy

    7. Seropram (tn)

    8. Citalopram Hcl

    9. Schembl1515377

    10. Dtxsid101005517

    11. (+/-)-citalopram Hydrochloride

    12. Citalopram Hydrochloride [mart.]

    13. Citalopram Hydrochloride [who-dd]

    14. 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Monohydrochloride

    15. En300-49950

    16. Citalopram Hydrochloride [ep Monograph]

    17. D07705

    18. 118c270

    19. Q27259466

    20. 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride

    21. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile--hydrogen Chloride (1/1)

    22. 5-isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, Hydrochloride (1:1)

    23. 5-isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, Monohydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 360.9 g/mol
    Molecular Formula C20H22ClFN2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass360.1404692 g/mol
    Monoisotopic Mass360.1404692 g/mol
    Topological Polar Surface Area36.3 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity466
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2