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Glycine, N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, rel- manufacturers and suppliers on PharmaCompass

PharmaCompass
Glycine, N,N
Also known as: 13291-61-7, 2,2',2'',2'''-((1r,2r)-rel-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid, Trans-1,2-cyclohexanediaminetetraacetic acid, Trans-cyclohexane-1,2-dinitrilotetraacetic acid, Jd2bu42p20, 2-[[(1r,2r)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
Molecular Formula
C14H22N2O8
Molecular Weight
346.33  g/mol
InChI Key
FCKYPQBAHLOOJQ-NXEZZACHSA-N
FDA UNII
JD2BU42P20

1 2D Structure

Glycine, N,N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
2.1.2 InChI
InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
2.1.3 InChI Key
FCKYPQBAHLOOJQ-NXEZZACHSA-N
2.1.4 Canonical SMILES
C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
2.1.5 Isomeric SMILES
C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
JD2BU42P20
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 13291-61-7

2. 2,2',2'',2'''-((1r,2r)-rel-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid

3. Trans-1,2-cyclohexanediaminetetraacetic Acid

4. Trans-cyclohexane-1,2-dinitrilotetraacetic Acid

5. Jd2bu42p20

6. 2-[[(1r,2r)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic Acid

7. Glycine, N,n'-(1r,2r)-1,2-cyclohexanediylbis(n-(carboxymethyl)-, Rel-

8. Rel-2,2',2'',2'''-((1r,2r)-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid

9. Acetic Acid, (1,2-cyclohexylenedinitrilo)tetra-, Trans-

10. Trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic Acid

11. Trans-cyclohexane-1,2-diamine-n,n,n',n'-tetraacetic Acid

12. Glycine, N,n'-1,2-cyclohexanediylbis[n-(carboxymethyl)-, Trans-

13. Unii-jd2bu42p20

14. Nsc-7339

15. Glycine, N,n'-1,2-cyclohexanediylbis(n-(carboxymethyl)-, Trans-

16. Nsc-529593

17. Einecs 236-308-9

18. Chelaton 4

19. Schembl93743

20. Dtxsid10889383

21. Fckypqbahloojq-nxezzachsa-n

22. Ac-2121

23. Fs-3809

24. Hy-45290

25. Pd157952

26. Cs-0145636

27. Cyclohexane-1,2-diaminetetraacetic Acid, Trans

28. E79142

29. Cyclohexanediamine Tetraacetic Acid [inci]

30. W-108304

31. Q27281446

32. Cyclohexane-1,2-diamine-n,n,n',n'-tetraacetic Acid, Trans-

33. Trans-1,2-diaminocyclohexane-n,n,n',n'-tetracetic Acid Monohydrate

34. Trans-(+/-)-n,n'-1,2-cyclohexanediylbis(n-(carboxymethyl)glycine)

35. 2,2',2'',2'''-((1r,2r)-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid

36. 2,2',2'',2'''-(1r, 2r)-rel-(cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid Hydrate

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 346.33 g/mol
Molecular Formula C14H22N2O8
XLogP3-4.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area156
Heavy Atom Count24
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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