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    Antazoline Mesylate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 3131-32-6, Antazoline methanesulfonate, Analergin, 2-phenylbenzylaminomethylimidazoline methanesulfonate, Antistine methyl sulfonate, Phenazoline methanesulfonate
    Molecular Formula
    C18H23N3O3S
    Molecular Weight
    361.5  g/mol
    InChI Key
    PIEHFGHAWYGNCY-UHFFFAOYSA-N
    FDA UNII
    KU470J7TY6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C17H19N3.CH4O3S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);1H3,(H,2,3,4)
    2.1.3 InChI Key
    PIEHFGHAWYGNCY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)O.C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    KU470J7TY6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3131-32-6

    2. Antazoline Methanesulfonate

    3. Analergin

    4. 2-phenylbenzylaminomethylimidazoline Methanesulfonate

    5. Antistine Methyl Sulfonate

    6. Phenazoline Methanesulfonate

    7. Antazoline Methane Sulphonate

    8. Ku470j7ty6

    9. Nsc-7438

    10. N-phenyl-n-benzylaminomethyl Imidazoline Methyl Sulfonate

    11. N-benzyl-n-(4,5-dihydro-1h-imidazol-2-ylmethyl)aniline;methanesulfonic Acid

    12. N-benzyl-n-((4,5-dihydro-1h-imidazol-2-yl)methyl)aniline Methanesulfonate

    13. Unii-ku470j7ty6

    14. Nsc 7438

    15. Einecs 221-523-2

    16. 2-n-benzyl Anilino Methyl Imidazoline

    17. Antazoline Mesilate

    18. Schembl5600741

    19. Antazoline Methansulfonate

    20. Dtxsid70953352

    21. Nsc7438

    22. Antazoline Methanesulphonate

    23. 2-imidazoline, Monomethanesulfonate

    24. Antazoline Mesilate [mart.]

    25. 2-imidazoline, 2-((n-benzylanilino)methyl)-, Monomethanesulfonate

    26. Antazoline Mesilate [who-dd]

    27. 2-imidazoline, 2-((benzylanilino)methyl)-, Monomethanesulfonate

    28. 1h-imidazole-2-methanamine, 4,5-dihydro-n-phenyl-n-(phenylmethyl)-, Monomethanesulfonate

    29. 4,5-dihydro-n-phenyl-n-(phenylmethyl)-1h-imidazole-2-methanamine Monomethanesulfonate

    30. Ds-013560

    31. Wln: T5m Cn Butj B1nr&1r &osw1

    32. A-8140

    33. Q27282440

    34. N-benzyl-n-(2-imidazolin-2-ylmethyl)aniline Methanesulfonate

    35. N-benzyl-n-(2-imidazolin-2-ylmethyl)aniline Methanesulphonate

    36. 1h-imidazole-2-methanamine,5-dihydro-n-phenyl-n-(phenylmethyl)-, Monomethanesulfonate

    37. Methanesulfonic Acid--n-benzyl-n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline (1/1)

    38. 25138-84-5

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 361.5 g/mol
    Molecular Formula C18H23N3O3S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass361.14601278 g/mol
    Monoisotopic Mass361.14601278 g/mol
    Topological Polar Surface Area90.4 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity407
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2