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    Trisulfa

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,416Xls

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    2D Structure
    Also known as: Trisulfapyrimidine, 8017-57-0, Sulfaloid, Triple sulfoid, Sulfa-triple #2, 4-amino-n-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-n-(4-methylpyrimidin-2-yl)benzenesulfonamide;4-amino-n-pyrimidin-2-ylbenzenesulfonamide
    Molecular Formula
    C33H36N12O6S3
    Molecular Weight
    792.9  g/mol
    InChI Key
    CBQDCAAOUQVIJL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide
    2.1.2 InChI
    InChI=1S/C12H14N4O2S.C11H12N4O2S.C10H10N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h3-7H,13H2,1-2H3,(H,14,15,16);2-7H,12H2,1H3,(H,13,14,15);1-7H,11H2,(H,12,13,14)
    2.1.3 InChI Key
    CBQDCAAOUQVIJL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N.CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Triple Sulfa

    2. Trisulfapyrimidine

    3. Trisulfapyrimidine Sodium Salt

    2.2.2 Depositor-Supplied Synonyms

    1. Trisulfapyrimidine

    2. 8017-57-0

    3. Sulfaloid

    4. Triple Sulfoid

    5. Sulfa-triple #2

    6. 4-amino-n-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-n-(4-methylpyrimidin-2-yl)benzenesulfonamide;4-amino-n-pyrimidin-2-ylbenzenesulfonamide

    7. Trisulfa

    8. Dtxsid20230125

    9. Sulfadiazine Mixture With Sulfamerazine And Sulfamethazine

    10. 4-amino-n-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide, Mixt. With 4-amino-n-(4-methyl-2-pyrimidinyl)benzenesulfonamide & 4-amino-n-2-pyrimidinylbenzenesulfonamide

    11. Benzenesulfonamide, 4-amino-n-(4,6-dimethyl-2-pyrimidinyl)-, Mixt. With 4-amino-n-(4-methyl-2-pyrimidinyl)benzenesulfonamide And 4-amino-n-2-pyrimidinylbenzenesulfonamide

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 792.9 g/mol
    Molecular Formula C33H36N12O6S3
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count9
    Exact Mass792.20429044 g/mol
    Monoisotopic Mass792.20429044 g/mol
    Topological Polar Surface Area319 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3