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    Lensiprazine

    INTERMEDIATES

    PharmaCompass
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    2D Structure
    Also known as: 327026-93-7, Slv-314, Lensiprazine [inn], N47mw76ogx, Chembl196514, (r)-8-(4-(3-(5-fluoro-1h-indol-3-yl)propyl)piperazin-1-yl)-2-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one
    Molecular Formula
    C24H27FN4O2
    Molecular Weight
    422.5  g/mol
    InChI Key
    SDAMYSWGWHXMRT-MRXNPFEDSA-N
    FDA UNII
    N47MW76OGX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-8-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4H-1,4-benzoxazin-3-one
    2.1.2 InChI
    InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
    2.1.3 InChI Key
    SDAMYSWGWHXMRT-MRXNPFEDSA-N
    2.1.4 Canonical SMILES
    CC1C(=O)NC2=C(O1)C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=C4C=C(C=C5)F
    2.1.5 Isomeric SMILES
    C[C@@H]1C(=O)NC2=C(O1)C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=C4C=C(C=C5)F
    2.2 Other Identifiers
    2.2.1 UNII
    N47MW76OGX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-(4-(3-(5-fluoro-1h-indol-3-yl)propyl)piperazin-1-yl)-4h-benzo(1,4)oxazin-2-methyl-3-one

    2. Slv 314

    3. Slv-314

    4. Slv314

    2.3.2 Depositor-Supplied Synonyms

    1. 327026-93-7

    2. Slv-314

    3. Lensiprazine [inn]

    4. N47mw76ogx

    5. Chembl196514

    6. (r)-8-(4-(3-(5-fluoro-1h-indol-3-yl)propyl)piperazin-1-yl)-2-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one

    7. Unii-n47mw76ogx

    8. Lensiprazine [who-dd]

    9. Dtxsid60186379

    10. Bdbm50176019

    11. Zinc11689014

    12. (2r)-8-[4-[3-(5-fluoro-1h-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4h-1,4-benzoxazin-3-one

    13. 026l937

    14. Q27284539

    15. (2r)-8-(4-(3-(5-fluoro-1h-indol-3-yl)propyl)piperidin-1-yl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one

    16. (2r)-8-[4-[3-(5-fluoro-1h-indole-3-yl)propyl]piperazino]-2alpha-methyl-2h-1,4-benzooxazine-3(4h)-one

    17. (r)-8-{4-[3-(5-fluoro-1h-indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4h-benzo[1,4]oxazin-3-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 422.5 g/mol
    Molecular Formula C24H27FN4O2
    XLogP33.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass422.21180428 g/mol
    Monoisotopic Mass422.21180428 g/mol
    Topological Polar Surface Area60.6 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity629
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dopamine D2 Receptor Antagonists

    Compounds and drugs that bind to and inhibit or block the activation of DOPAMINE D2 RECEPTORS. (See all compounds classified as Dopamine D2 Receptor Antagonists.)