Shreeneel Chemicals

125572-95-4

Chemistry, 1 End Use API, 31 Related Intermediates

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Also known as: 125572-95-4, 2,2',2'',2'''-(trans-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid hydrate, Dcta (monohydrate), 1,2-cyclohexanedinitrilotetraacetic acid, Dcta, 2,2',2'',2'''-((1r,2r)-rel-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid hydrate

Molecular Formula

C₁₄H₂₄N₂O₉

Molecular Weight

364.35 g/mol

InChI Key

VASZYFIKPKYGNC-DHTOPLTISA-N

FDA UNII

V3971SG9LH

1 2D Structure

125572-95-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate

2.1.2 InChI

InChI=1S/C14H22N2O8.H2O/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);1H2/t9-,10-;/m1./s1

2.1.3 InChI Key

VASZYFIKPKYGNC-DHTOPLTISA-N

2.1.4 Canonical SMILES

C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)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.O

2.2 Other Identifiers

2.2.1 UNII

V3971SG9LH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cdta

2. Cdta, Calcium Salt

3. Cdta, Calcium, Sodium Salt

4. Cdta, Magnesium, Sodium Salt

5. Cdta, Manganese (2-), Disodium Salt

6. Cdta, Sodium Salt

7. Cu-cdta

8. Cyclohexanediaminetetraacetic Acid

9. Dcta

10. Diaminocyclohexanetetraacetic Acid

11. Fe-cdta

12. Gd-cdta

13. Mn-cdta

14. Ni-cdta

2.3.2 Depositor-Supplied Synonyms

1. 125572-95-4

2. 2,2',2'',2'''-(trans-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid Hydrate

3. Dcta (monohydrate)

4. 1,2-cyclohexanedinitrilotetraacetic Acid

5. Dcta

6. 2,2',2'',2'''-((1r,2r)-rel-cyclohexane-1,2-diylbis(azanetriyl))tetraacetic Acid Hydrate

7. V3971sg9lh

8. Mfcd00149243

9. Glycine, N,n'-(1r,2r)-1,2-cyclohexanediylbis[n-(carboxymethyl)-, Hydrate (1:1), Rel-

10. 2-[[(1r,2r)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic Acid;hydrate

11. Trans-1,2-cyclohexanediaminetetraacetic Acid Monohydrate

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

13. Glycine, N,n'-(1r,2r)-1,2-cyclohexanediylbis(n-(carboxymethyl)-, Hydrate (1:1), Rel-

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

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

16. Rel-n,n'-(1r,2r)-1,2-cyclohexanediylbis(n-(carboxymethyl)glycine Hydrate (1:1)

17. C14h24n2o9

18. Cheltrade Mark-cd

19. Glycine, N,n'-(1r,2r)-1,2-cyclohexanediylbis[n-(carboxymethyl)-, Monohydrate, Rel- (9ci); Glycine, N,n'-1,2-cyclohexanediylbis[n-(carboxymethyl)-, Monohydrate, Trans-(+/-)-; Rel-n,n'-(1r,2r)-1,2-cyclohexanediylbis[n-(carboxymethyl)glycine Hydrate (1:1); Trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic Acid Monohydrate

20. Unii-v3971sg9lh

21. Schembl303864

22. Dtxsid20369106

23. Vaszyfikpkygnc-dhtopltisa-n

24. Akos015903582

25. Cs-w013894

26. Hy-w013178

27. Ds-15383

28. 13291-61-7 (.xh2o)

29. O10553

30. J-005247

31. Q27291483

32. (1,2-cyclohexylenedinitrilo)tetraacetic Acid Monohydrate

33. Trans-1,2-cyclohexane Diamine Tetraacetic Acid Monohydrate

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

35. 2,2',2'',2'''-(trans-cyclohexane-1,2-diyl-bis(azanetriyl))tetraacetic Acid Hydrate

36. 2,2',2'',2'''-(trans-cyclohexane-1,2-diylbis(azanetriyl))tetraaceticacidhydrate

37. 2,2',2'',2'''-[(1r,2r)-cyclohexane-1,2-diyldinitrilo]tetraacetic Acid--water (1/1)

38. Trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic Acid Monohydrate, >=99% (titration)

39. Trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic Acid Monohydrate, P.a., 99%

40. {[(1r,2r)-2-[bis(carboxymethyl)amino]cyclohexyl](carboxymethyl)amino}acetic Acid Hydrate

41. Trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic Acid Monohydrate, Acs Reagent, 97.5-100.5%

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₄N₂O₉
Molecular Weight	364.35 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	157
Heavy Atom Count	25
Formal Charge	0
Complexity	419
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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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CAS Number

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End Use API

Quetiapine Hemifumarate

About the Company

Shreeneel Chemicals is dedicated to quality healthcare development and fostering a knowledgeable environm...

Shreeneel Chemicals is dedicated to quality healthcare development and fostering a knowledgeable environment. The company was founded by Mr. Sanjay Tavethiya and Mr. Anoopsingh Tomar in late 2010, following their collaboration as colleagues for half a decade and extensive experience in soft floor operations. Our commitment to quality in both products and work practices has earned us a wide range of clients. Embracing the philosophy of "vasudhaiva kutumbakam" (the world is a family), we treat our customers and team members like family, prioritizing quality relationships over quantity.

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