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    Chemistry

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    Also known as: 1977495-97-8, Trilaciclib dihydrochloride, Trilaciclib 2hcl, G1t28 hydrochloride, G1t28 dihydrochloride, Trilaciclib (hydrochloride)
    Molecular Formula
    C24H32Cl2N8O
    Molecular Weight
    519.5  g/mol
    InChI Key
    BRCYOXKEDFAUSA-UHFFFAOYSA-N
    FDA UNII
    4BX07W725T
    Trilaciclib Dihydrochloride
    1 2D Structure

    Trilaciclib Dihydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride
    2.1.2 InChI
    InChI=1S/C24H30N8O.2ClH/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23;;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29);2*1H
    2.1.3 InChI Key
    BRCYOXKEDFAUSA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4BX07W725T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-7',8'-dihydro-6'h-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one

    2. Cosela

    3. Spiro(cyclohexane-1,9'(6'h)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-

    4. Trilaciclib

    2.3.2 Depositor-Supplied Synonyms

    1. 1977495-97-8

    2. Trilaciclib Dihydrochloride

    3. Trilaciclib 2hcl

    4. G1t28 Hydrochloride

    5. G1t28 Dihydrochloride

    6. Trilaciclib (hydrochloride)

    7. 4bx07w725t

    8. Cosela

    9. 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'hspiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one Dihydrochloride

    10. 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride

    11. Spiro(cyclohexane-1,9'(6'h)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-, Hydrochloride (1:2)

    12. Unii-4bx07w725t

    13. Chembl4650272

    14. Trilaciclib Hydrochloride(g1t28)

    15. Bcp25727

    16. Ced49597

    17. Ex-a4296

    18. At27978

    19. Cs-7942

    20. Hy-101467a

    21. Sb19784

    22. G1t28 Dihydrochloride;trilaciclib 2hcl

    23. G1t28 Hydrochlorideg1t28 Hydrochloride

    24. Ac-36548

    25. Trilaciclib Dihydrochloride [who-dd]

    26. Trilaciclib Dihydrochloride [orange Book]

    27. A901868

    28. 12'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-2',5',11',13'-tetraazaspiro[cyclohexane-1,3'-tricyclo[7.4.0.0(2),]tridecane]-1'(9'),7',10',12'-tetraen-6'-one Dihydrochloride

    29. 1374635-07-0

    2.4 Create Date
    2017-02-17
    3 Chemical and Physical Properties
    Molecular Weight 519.5 g/mol
    Molecular Formula C24H32Cl2N8O
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area91.2
    Heavy Atom Count35
    Formal Charge0
    Complexity707
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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