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    Trimethoprim HCl

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Trimethoprim hcl, 60834-30-2, Trimethoprim (hydrochloride), 9xe000ou9b, 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride, Trimpex (tn)
    Molecular Formula
    C14H19ClN4O3
    Molecular Weight
    326.78  g/mol
    InChI Key
    YLCCEQZHUHUYPA-UHFFFAOYSA-N
    FDA UNII
    9XE000OU9B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H18N4O3.ClH/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H
    2.1.3 InChI Key
    YLCCEQZHUHUYPA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9XE000OU9B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Trimethoprim Hcl

    2. 60834-30-2

    3. Trimethoprim (hydrochloride)

    4. 9xe000ou9b

    5. 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Hydrochloride

    6. Trimpex (tn)

    7. 5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diamine Hydrochloride

    8. Trimplex

    9. Trimplex 200

    10. Unii-9xe000ou9b

    11. Einecs 262-450-6

    12. Primsol (tn)

    13. Schembl1236697

    14. Chembl1201080

    15. Hy-b0510b

    16. Dtxsid40209671

    17. Trimethoprim Hydrochloride [who-dd]

    18. Cs-0031202

    19. D11085

    20. Trimethoprim Hydrochloride [orange Book]

    21. Q27273348

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 326.78 g/mol
    Molecular Formula C14H19ClN4O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass326.1145682 g/mol
    Monoisotopic Mass326.1145682 g/mol
    Topological Polar Surface Area106 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity307
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2