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    CAS 300543-56-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 300543-56-0, (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine, Norchlorcyclizine, (-)-, Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-, (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine, (r)-1-(p-chlorobenzhydryl)piperazine
    Molecular Formula
    C17H19ClN2
    Molecular Weight
    286.8  g/mol
    InChI Key
    UZKBSZSTDQSMDR-QGZVFWFLSA-N
    FDA UNII
    890A9G29PG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine
    2.1.2 InChI
    InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m1/s1
    2.1.3 InChI Key
    UZKBSZSTDQSMDR-QGZVFWFLSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
    2.1.5 Isomeric SMILES
    C1CN(CCN1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    890A9G29PG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 300543-56-0

    2. (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine

    3. Norchlorcyclizine, (-)-

    4. Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-

    5. (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

    6. (r)-1-(p-chlorobenzhydryl)piperazine

    7. 1-[(r)-(4-chlorophenyl)-phenylmethyl]piperazine

    8. 890a9g29pg

    9. 1-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazine

    10. Piperazine, 1-((r)-(4-chlorophenyl)phenylmethyl)-

    11. (-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

    12. (-)-1-((4-chlorophenyl)phenylmethyl)piperazine

    13. (r)-1-((4-chlorophenyl)phenylmethyl)piperazine

    14. Unii-890a9g29pg

    15. (-)-norchlorcyclizine

    16. 1-[(r)-(4-chlorophenyl)phenylmethyl]-piperazine

    17. Schembl588655

    18. Chembl3771137

    19. Mfcd11519277

    20. Zinc19363630

    21. Akos015900420

    22. Akos016016508

    23. Ac-26786

    24. Ds-16464

    25. (r)-n-(4-chlorobenzyl Hydryl) Piperazine

    26. Chlorobenzhydryl Piperazine [usp-rs]

    27. Db-068198

    28. A5547

    29. Cs-0156606

    30. Cs-0200360

    31. [(1r)(4-chlorophenyl)phenylmethyl]piperazine

    32. J3.610.329i

    33. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine

    34. 543c560

    35. J-017749

    36. Q27269970

    37. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine,

    38. (r)-1-((4-chlorophenyl)(phenyl)methyl)piperazine (cetirizine Impurity)

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 286.8 g/mol
    Molecular Formula C17H19ClN2
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass286.1236763 g/mol
    Monoisotopic Mass286.1236763 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity277
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1