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    Phenyltoloxamine Citrate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 1176-08-5, Phenyltoloxamine citrate salt, 2-(2-benzylphenoxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate, Nsc-169860, Mls000028598, Smr000058648
    Molecular Formula
    C23H29NO8
    Molecular Weight
    447.5  g/mol
    InChI Key
    ZZYHCCDMBJTROG-UHFFFAOYSA-N
    FDA UNII
    8UE48MJH8M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-benzylphenoxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
    2.1.3 InChI Key
    ZZYHCCDMBJTROG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    8UE48MJH8M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1176-08-5

    2. Phenyltoloxamine Citrate Salt

    3. 2-(2-benzylphenoxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate

    4. Nsc-169860

    5. Mls000028598

    6. Smr000058648

    7. 2-(2-benzylphenoxy)-n,n-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic Acid

    8. Dsstox_cid_27770

    9. Dsstox_rid_82547

    10. Dsstox_gsid_47790

    11. Cas-1176-08-5

    12. Regid855695

    13. Opera_id_1121

    14. Phenyltoloxaminecitrate

    15. Phenyltoloxamindihydrogencitrat

    16. Mls001148667

    17. Schembl158443

    18. Chembl1586457

    19. Dtxsid5047790

    20. Hms2231p03

    21. Hms3372c22

    22. Baa17608

    23. Tox21_110862

    24. Nsc148352

    25. Nsc169860

    26. Tox21_110862_1

    27. Nsc-148352

    28. 2-(2-benzylphenoxy)-n,n-dimethylethanamine2-hydroxypropane-1,2,3-tricarboxylate

    29. Phenyltoloxamine Citrate [mart.]

    30. Phenyltoloxamine Citrate [vandf]

    31. Ncgc00021141-05

    32. Phenyltoloxamine Citrate [usp-rs]

    33. Phenyltoloxamine Citrate [who-dd]

    34. Db-041377

    35. Wln: 1n1&2or B1r &ov1xqvo&1vo

    36. Ft-0603550

    37. D08967

    38. Phenyltoloxamine Citrate [usp Monograph]

    39. Phenyltoloxamine Dihydrogen Citrate [mi]

    40. Phenyltoloxamine Dihydrogen Citrate [vandf]

    41. Sr-01000003146

    42. Sr-01000003146-3

    43. W-109651

    44. N,n-dimethyl-2([alpha-phenyl-o-tolyl]oxy)ethylamine

    45. Q27271029

    46. Phenyltoloxamine Citrate 1.0 Mg/ml In Methanol (as Free Base)

    47. Ethylamine,n-dimethyl-2-[(.alpha.-phenyl-o-tolyl)oxy]-, Citrate (1:1)

    48. N,n-dimethyl-(a-phenyl-o-toloxy) Ethylamine Dihydrogen Citrate

    49. N,n-dimethyl-2-(.alpha.-phenyl-o-toloxy)ethylamine Dihydrogen Citrate

    50. N,n-dimethyl-2-(.alpha.-phenyl-o-tolyloxy)ethylamine, Citrate (1:1) Salt

    51. Phenyltoloxamine Citrate, United States Pharmacopeia (usp) Reference Standard

    52. Ethanamine,n-dimethyl-2-[2-(phenylmethyl)phenoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 447.5 g/mol
    Molecular Formula C23H29NO8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count11
    Exact Mass447.18931688 g/mol
    Monoisotopic Mass447.18931688 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity463
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2