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    2050038-84-9 manufacturers and suppliers on PharmaCompass

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    2050038-84-9

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    2050038-84-9
    Also known as: 2050038-84-9, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine dihydrochloride, 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride, 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2), Amy16529, Db-156747
    Molecular Formula
    C14H19Cl2N5
    Molecular Weight
    328.2  g/mol
    InChI Key
    LKVHWZCFMAQTFX-NKRBYZSKSA-N
    1 2D Structure

    2050038-84-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride
    2.1.2 InChI
    InChI=1S/C14H17N5.2ClH/c1-2-9-5-15-6-10(9)12-7-17-13-8-18-14-11(19(12)13)3-4-16-14;;/h3-4,7-10,15-16H,2,5-6H2,1H3;2*1H/t9-,10+;;/m1../s1
    2.1.3 InChI Key
    LKVHWZCFMAQTFX-NKRBYZSKSA-N
    2.1.4 Canonical SMILES
    CCC1CNCC1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl
    2.1.5 Isomeric SMILES
    CC[C@@H]1CNC[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2050038-84-9

    2. 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine Dihydrochloride

    3. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride

    4. 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, Hydrochloride (1:2)

    5. Amy16529

    6. Db-156747

    7. 8-((3r,4s)-4-ethyl-3-pyrrolidinyl)-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine 2hcl

    8. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetraazatricyclo[7.3.0.0,dodeca-2(6),3,7,9,11-pentaene Dihydrochloride

    2.3 Create Date
    2019-12-06
    3 Chemical and Physical Properties
    Molecular Weight 328.2 g/mol
    Molecular Formula C14H19Cl2N5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area58
    Heavy Atom Count21
    Formal Charge0
    Complexity336
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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