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CAS 60239-18-1 manufacturers and suppliers on PharmaCompass

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CAS 60239-18-1
Also known as: Dota, 60239-18-1, 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, Dota acid, 1,4,7,10-dota, 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Formula
C16H28N4O8
Molecular Weight
404.42  g/mol
InChI Key
WDLRUFUQRNWCPK-UHFFFAOYSA-N
FDA UNII
1HTE449DGZ

1 2D Structure

CAS 60239-18-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
2.1.2 InChI
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
2.1.3 InChI Key
WDLRUFUQRNWCPK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
1HTE449DGZ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,4,7,10-dota

2. 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic Acid

3. 1,4,7,10-tetraazacyclododecane--n,n',n'',n'''-tetraacetic Acid

4. 1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane

5. 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic Acid

6. Cudota

7. Dota

8. Dota Acid

2.3.2 Depositor-Supplied Synonyms

1. Dota

2. 60239-18-1

3. 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic Acid

4. Dota Acid

5. 1,4,7,10-dota

6. 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic Acid

7. 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetic Acid

8. Chebi:61028

9. Dot-a

10. Mfcd00068657

11. Nsc-681107

12. 1hte449dgz

13. Mls001333612

14. Tetraxetan (usan)

15. Nsc681107

16. 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic Acid

17. 2,2',2',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic Acid

18. Smr000857276

19. Tetraxetan [usan]

20. Unii-1hte449dgz

21. Tetraxetanum

22. Gadoterate-meglumine

23. 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic-acid

24. Nsc 681107

25. Gadobutrol Impurity 9

26. Tetraxetan [inn]

27. Tetraxetan [usan:inn]

28. Dota [mi]

29. Epitope Id:146095

30. Tetraxetan [usp-rs]

31. Schembl18018

32. Cid_121841

33. Gtpl5538

34. Chembl1721515

35. Bdbm88700

36. Amy5853

37. Dtxsid60208984

38. Hms2236n04

39. Hms3373h02

40. Tetraxetan [usp Monograph]

41. Bcp13075

42. Zinc22059268

43. Akos015854210

44. Ncgc00246979-01

45. Ac-31772

46. As-19566

47. Nci60_028933

48. Sy057414

49. 3-(dimethyloctadecylammonio)propanesulfonate

50. Cs-0046228

51. Ft-0606756

52. T1875

53. D06092

54. F16414

55. A851290

56. Q161515

57. J-650232

58. 1,4,7,10-tetraazacylododeane-1,4,7,10-tetraacetic Acid

59. 1,4,7,10-tetraazacyclododecane N,n',n",n'"-tetraacetic Acid

60. 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic Acid

61. 1,4,7,10-tetraazacyclododecane-n,n',n', N'''-tetraacetic Acid

62. 1,4,7,10-tetraazacyclododecane-n,n'n'',n'''-tetraacetic Acid

63. 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic Acid, >=97.0% (chn)

64. 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetic Acid, Min. 98% Dota

65. 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic Acid

66. 2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic Acid

67. 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic Acid

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 404.42 g/mol
Molecular Formula C16H28N4O8
XLogP3-10.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass404.19071386 g/mol
Monoisotopic Mass404.19071386 g/mol
Topological Polar Surface Area162 Ų
Heavy Atom Count28
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Chelating Agents

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)


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