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    CAS 81461-73-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 81461-73-6, 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane bromide, F8t68t53gb, 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane bromide, 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, bromide (1:1), Refchem:1074651
    Molecular Formula
    C12H19BrN4
    Molecular Weight
    299.21  g/mol
    InChI Key
    OYIPPQBBPVTVTR-UHFFFAOYSA-M
    FDA UNII
    F8T68T53GB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane bromide
    2.1.2 InChI
    InChI=1S/C12H19N4.BrH/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12;/h3-5H,1-2,6-11H2;1H/q+1;/p-1
    2.1.3 InChI Key
    OYIPPQBBPVTVTR-UHFFFAOYSA-M
    2.2 Other Identifiers
    2.2.1 UNII
    F8T68T53GB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 81461-73-6

    2. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide

    3. F8t68t53gb

    4. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane Bromide

    5. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (1:1)

    6. Refchem:1074651

    7. 924-923-1

    8. Buspirone Ep Impurity B

    9. 8-(pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ium Bromide

    10. 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane;bromide

    11. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4,5]decane Bromide

    12. 8-(pyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane Bromide

    13. 8-pyrimidin-2-yl-5,8-diazaspiro[4.5]decane, Bromide

    14. F1727-0279

    15. Oyippqbbpvtvtr-uhfffaoysa-m

    16. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (1:1); 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (9ci); 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide

    17. Smr000034101

    18. Starbld0001642

    19. Mls000078296

    20. Schembl9007246

    21. Chembl1464282

    22. Regid_for_cid_657505

    23. Hms2330a13

    24. Gda46173

    25. Mfcd00524901

    26. Sbb081505

    27. Akos000276296

    28. Ds-015769

    29. Cs-0271378

    30. St50109097

    31. Vu0215920-5

    32. H42616

    33. Sr-01000395974

    34. Sr-01000395974-1

    35. Z57912359

    36. 8-(pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ylium Bromide

    37. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide

    38. 8-(pyrimidin-2-yl)-5lambda,8-diazaspiro[4.5]decan-5-ylium Bromide

    2.4 Create Date
    2005-06-29
    3 Chemical and Physical Properties
    Molecular Weight 299.21 g/mol
    Molecular Formula C12H19BrN4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area29
    Heavy Atom Count17
    Formal Charge0
    Complexity221
    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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