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    CAS 93076-03-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 93076-03-0, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1, 2-a]-pyrimidin-4-one hcl, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-onehydrochloride, 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, monohydrochloride, Ec 424-530-0
    Molecular Formula
    C11H16Cl2N2O
    Molecular Weight
    263.16  g/mol
    InChI Key
    OPYLAGAQMHMBNY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H15ClN2O.ClH/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;/h2-7H2,1H3;1H
    2.1.3 InChI Key
    OPYLAGAQMHMBNY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)N2CCCCC2=N1)CCCl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 93076-03-0

    2. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

    3. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1, 2-a]-pyrimidin-4-one Hcl

    4. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-onehydrochloride

    5. 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, Monohydrochloride

    6. Ec 424-530-0

    7. Schembl1443956

    8. Dtxsid00575602

    9. Act04316

    10. Amy40864

    11. Mfcd09031252

    12. Akos015899627

    13. Ac-3458

    14. Cs-w021757

    15. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one Hydrochloride

    16. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride

    17. 3-(2-chloroethyl)-6,7,8,9-tetra-hydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one Monohydrochloride

    18. As-11462

    19. D78317

    20. 076c030

    21. J-510496

    22. 3-(2-chloroethyl)-2-methyl-4h,6h,7h,8h,9h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride

    23. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2 A]pyrimidine-4-one Hcl

    24. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one Hcl

    25. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride (risperidone Piperidopyrimidinone Intermediate Hydrochloride)

    26. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one--hydrogen Chloride (1/1)

    27. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidine-4-one Hydrochloride

    28. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido [1,2-a]pyrimidin-4-one Monohydrochloride

    29. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one Monohydrochloride

    30. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one Monohydrochloride

    2.3 Create Date
    2007-02-12
    3 Chemical and Physical Properties
    Molecular Weight 263.16 g/mol
    Molecular Formula C11H16Cl2N2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass262.0639685 g/mol
    Monoisotopic Mass262.0639685 g/mol
    Topological Polar Surface Area32.7 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity347
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2