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Chemistry

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Also known as: 59160-29-1, Hida, N-(2,6-dimethylphenylcarbamoylmethyl)iminodiacetic acid, Hepato-scan, Hid-a, (((2,6-xylylcarbamoyl)methyl)imino)diacetic acid

Molecular Formula

C₁₄H₁₈N₂O₅

Molecular Weight

294.30 g/mol

InChI Key

DJQJFMSHHYAZJD-UHFFFAOYSA-N

FDA UNII

EK22QV7701

1 2D Structure

Lidofenin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)

2.1.3 InChI Key

DJQJFMSHHYAZJD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)O)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

EK22QV7701

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Gadolinium-hida

2. Gd-hida

3. Hepato-iminodiacetic Acid

4. Hida

5. N-(carboxymethyl)-n-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)glycine

2.3.2 Depositor-Supplied Synonyms

1. 59160-29-1

2. Hida

3. N-(2,6-dimethylphenylcarbamoylmethyl)iminodiacetic Acid

4. Hepato-scan

5. Hid-a

6. (((2,6-xylylcarbamoyl)methyl)imino)diacetic Acid

7. Acetic Acid, (((2,6-xylylcarbamoyl)methyl)imino)di-

8. 2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic Acid

9. N-(2,6-dimethyl-phenyl-carbamoyl-methyl)-iminodiacetic Acid

10. Iminodiacetic Acid, N-(2,6-dimethyl-phenyl-carbamoylmethyl)-

11. N-(n'-(2,6-dimethylphenyl)carbamoylmethyl)iminodiacetic Acid

12. Ek22qv7701

13. 2,2'-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)azanediyl)diacetic Acid

14. Ncgc00164491-01

15. Ncgc00164491-02

16. N-(carboxymethyl)-n-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)glycine

17. Acetic Acid, 2,2'-(n-(2,6-dimethylphenylcarbamoylmethyl)imino)di-

18. Glycine, N-(carboxymethyl)-n-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-

19. Glycine, N-(carboxymethyl)-n-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-

20. Dsstox_cid_26389

21. Dsstox_rid_81569

22. Dsstox_gsid_46389

23. Lidofenine

24. Lidofenino

25. Lidofeninum

26. Lidofenin [usan:inn]

27. Lidofenine [inn-french]

28. Lidofeninum [inn-latin]

29. Lidofenino [inn-spanish]

30. N-(carboxymethyl)-n-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]glycine

31. Cas-59160-29-1

32. [[(2,6-xylylcarbamoyl)methyl]imino]diacetic Acid

33. Einecs 261-636-4

34. Brn 2820306

35. Unii-ek22qv7701

36. Hepato-scan (tn)

37. Lidofenin [inn]

38. Lidofenin [ii]

39. Lidofenin [mi]

40. Lidofenin (usan/inn)

41. Lidofenin [usan]

42. Lidofenin [who-dd]

43. Mls004773974

44. Schembl214472

45. Zinc1618

46. Chembl1400608

47. Dtxsid2046389

48. Chebi:135229

49. Tox21_112129

50. Mfcd00038399

51. Akos009158948

52. Tox21_112129_1

53. Smr001550302

54. Db-053332

55. D1730

56. Ft-0630711

57. D04730

58. T71106

59. N-(2,6-xylidinocarbonylmethyl)iminodiacetic Acid

60. A869256

61. Sr-01000939575

62. Sr-01000939575-2

63. N-(2,6-dimethylacetanilide) Iminodiacetic Acid

64. Q27277215

65. 2,2'-(2-(2,6-dimethylphenylamino)-2-oxoethylazanediyl)diacetic Acid

66. 2,2-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)azanediyl)diacetic Acid

67. Lidofenin, Lidofenin (n-(2,6-dimethylphenyl-carbamoylmethyl)iminodiacetic Acid)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₂O₅
Molecular Weight	294.30 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	294.12157168 g/mol
Monoisotopic Mass	294.12157168 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	373
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

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