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    Chemistry

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    Also known as: 78266-06-5, Choletec, Sq 26962, (3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid, Sq-26962, 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
    Molecular Formula
    C15H19BrN2O5
    Molecular Weight
    387.23  g/mol
    InChI Key
    MHPZZZZLAQGTHT-UHFFFAOYSA-N
    FDA UNII
    7PV0B6ED98
    Mebrofenin
    1 2D Structure

    Mebrofenin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
    2.1.2 InChI
    InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)
    2.1.3 InChI Key
    MHPZZZZLAQGTHT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C
    2.2 Other Identifiers
    2.2.1 UNII
    7PV0B6ED98
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. ((((3-bromomesityl)carbamoyl)methyl)imino)diacetic Acid

    2. Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-n-(carboxymethyl)-

    3. Sq 26962

    4. Sq-26962

    2.3.2 Depositor-Supplied Synonyms

    1. 78266-06-5

    2. Choletec

    3. Sq 26962

    4. (3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic Acid

    5. Sq-26962

    6. 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic Acid

    7. ((((3-bromomesityl)carbamoyl)methyl)imino)diacetic Acid

    8. 7pv0b6ed98

    9. Ncgc00181297-01

    10. Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-n-(carboxymethyl)-

    11. Mebrofenine

    12. Mebrofenino

    13. Mebrofeninum

    14. Mebrofenine [inn-french]

    15. Mebrofeninum [inn-latin]

    16. Mebrofenino [inn-spanish]

    17. Unii-7pv0b6ed98

    18. Einecs 278-877-6

    19. Mebrofenin [usan:usp:inn:ban]

    20. Mfcd00216974

    21. Mebrofenin [ii]

    22. Mebrofenin [mi]

    23. Mebrofenin (usp/inn)

    24. Mebrofenin [inn]

    25. Mebrofenin [usan]

    26. Dsstox_cid_26891

    27. Dsstox_rid_81994

    28. Mebrofenin [usp-rs]

    29. Mebrofenin [who-dd]

    30. N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-n-(carboxymethyl)glycine

    31. Dsstox_gsid_46891

    32. Schembl135229

    33. Chembl1605443

    34. Dtxsid1046891

    35. Chebi:135608

    36. Mebrofenin [usp Monograph]

    37. Zinc537957

    38. Hy-b1684

    39. Tox21_112775

    40. S3587

    41. Fc-3501

    42. 2,2'-((2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)azanediyl)diacetic Acid

    43. Cas-78266-06-5

    44. Db-056297

    45. Cs-0013655

    46. Ft-0628182

    47. D04869

    48. Sr-01000944486

    49. Sr-01000944486-1

    50. Q27268694

    51. (3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic Acid, Aldrichcpr

    52. 2,2'-((2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)azanediyl)diaceticacid

    53. 2,2'-(2-(3-bromo-2,4,6-trimethylphenylamino)-2-oxoethylazanediyl)diacetic Acid

    54. 2,2'-[[2-[(3-bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl]imino]bisacetic Acid

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 387.23 g/mol
    Molecular Formula C15H19BrN2O5
    XLogP3-0.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass386.04773 g/mol
    Monoisotopic Mass386.04773 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity443
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameCholetec
    Active IngredientTechnetium tc-99m mebrofenin kit
    Dosage FormInjectable
    RouteInjection
    Strengthn/a
    Market StatusPrescription
    CompanyBracco

    2 of 2  
    Drug NameCholetec
    Active IngredientTechnetium tc-99m mebrofenin kit
    Dosage FormInjectable
    RouteInjection
    Strengthn/a
    Market StatusPrescription
    CompanyBracco

    Europe

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    Amersham Health AS,

    Country
    CPHI Middle east
    Not Confirmed
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    Amersham Health AS,

    Country
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    CPHI Middle east
    Not Confirmed
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    Regulatory Info :

    Registration Country : Sweden

    mebrofenin

    Brand Name : Isokit Mebrofenin

    Dosage Form : KIT FOR RADIOPHARMACEUTICAL

    Dosage Strength : 40 MG

    Packaging :

    Approval Date :

    Application Number :

    Regulatory Info :

    Registration Country : Sweden

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    BRACCO IMAGING CANADA

    Italy
    CPHI Middle east
    Not Confirmed
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    BRACCO IMAGING CANADA

    Italy
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    Regulatory Info : Schedule C

    Registration Country : Canada

    MEBROFENIN

    Brand Name : CHOLETEC

    Dosage Form : POWDER FOR SOLUTION

    Dosage Strength : 45MG/VIAL

    Packaging :

    Approval Date :

    Application Number : 2329263

    Regulatory Info : Schedule C

    Registration Country : Canada

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