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    Technical details about Unii-I440YY0HX0, learn more about the structure, uses, toxicity, action, side effects and more

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    Unii-I440YY0HX0

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Rp-5063 hydrochloride, I440yy0hx0, 1708960-04-6, 2h-1,4-benzoxazin-3(4h)-one, 6-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-, hydrochloride (1:1), Unii-i440yy0hx0, Schembl3405319
    Molecular Formula
    C22H26Cl3N3O3
    Molecular Weight
    486.8  g/mol
    InChI Key
    GMTQOJSRMVAFIF-UHFFFAOYSA-N
    FDA UNII
    I440YY0HX0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4H-1,4-benzoxazin-3-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H25Cl2N3O3.ClH/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20;/h3-7,14H,1-2,8-13,15H2,(H,25,28);1H
    2.1.3 InChI Key
    GMTQOJSRMVAFIF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCCCOC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C(=CC=C4)Cl)Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    I440YY0HX0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Rp-5063 Hydrochloride

    2. I440yy0hx0

    3. 1708960-04-6

    4. 2h-1,4-benzoxazin-3(4h)-one, 6-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-, Hydrochloride (1:1)

    5. Unii-i440yy0hx0

    6. Schembl3405319

    7. Brilaroxazine Hydrochloride

    8. Pcc0104005

    2.4 Create Date
    2010-09-13
    3 Chemical and Physical Properties
    Molecular Weight 486.8 g/mol
    Molecular Formula C22H26Cl3N3O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass485.103975 g/mol
    Monoisotopic Mass485.103975 g/mol
    Topological Polar Surface Area54 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity562
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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