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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

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 Formula	C₁₅H₁₉BrN₂O₅
Molecular Weight	387.23 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	386.04773 g/mol
Monoisotopic Mass	386.04773 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Choletec
Active Ingredient	Technetium tc-99m mebrofenin kit
Dosage Form	Injectable
Route	Injection
Strength	n/a
Market Status	Prescription
Company	Bracco

2 of 2
Drug Name	Choletec
Active Ingredient	Technetium tc-99m mebrofenin kit
Dosage Form	Injectable
Route	Injection
Strength	n/a
Market Status	Prescription
Company	Bracco