CAS 70406-92-7

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Also known as: 70406-92-7, Ethyl n-(2,3-dichloro-6-aminobenzyl)glcycine, Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate, N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester, Anagrelide related compound a, (6-amino-2,3-dichlorobenzylamino)acetic acid ethyl ester

Molecular Formula

C₁₁H₁₄Cl₂N₂O₂

Molecular Weight

277.14 g/mol

InChI Key

GXKCDDOGWWCMAO-UHFFFAOYSA-N

FDA UNII

5395VIK2H2

1 2D Structure

CAS 70406-92-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate

2.1.2 InChI

InChI=1S/C11H14Cl2N2O2/c1-2-17-10(16)6-15-5-7-9(14)4-3-8(12)11(7)13/h3-4,15H,2,5-6,14H2,1H3

2.1.3 InChI Key

GXKCDDOGWWCMAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)N

2.2 Other Identifiers

2.2.1 UNII

5395VIK2H2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 70406-92-7

2. Ethyl N-(2,3-dichloro-6-aminobenzyl)glcycine

3. Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate

4. N-(6-amino-2,3-dichlorobenzyl)glycine Ethyl Ester

5. Anagrelide Related Compound A

6. (6-amino-2,3-dichlorobenzylamino)acetic Acid Ethyl Ester

7. Ethyl N-(6-amino-2,3-dichlorobenzyl)glycine

8. Ethyl (2-amino-5,6-dichlorobenzyl)aminoacetate

9. 5395vik2h2

10. Glycine, N-((6-amino-2,3-dichlorophenyl)methyl)-, Ethyl Ester

11. (anagrelide Impurity A)

12. Ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate

13. Unii-5395vik2h2

14. Anagrelide Related Compound A [usp]

15. Schembl278947

16. Dtxsid60220681

17. Bcpp000237

18. Amy33420

19. Bcp22674

20. Ethyl 2-(6-amino-2,3-dichlorobenzyl)glycine(anagrelide Impurity A)

21. Mfcd08063815

22. Zinc35644222

23. Akos022172483

24. Ac-3495

25. Bcp9000667

26. Bs-17950

27. Cs-0151572

28. Ft-0668142

29. Ft-0696704

30. Anagrelide Related Compound A [usp-rs]

31. 406a927

32. Anagrelide Related Compound A [usp Impurity]

33. Ethyl 2-(6-amino-2,3-dichlorobenzyl-amino)acetate

34. N-(2-amino-5,6-dichlorobenzyl)glycine Ethyl Ester

35. Q27261079

36. Ethyl 2-(6-amino-2,3-dichlorobenzyl)glycine Dihydrochloride

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄Cl₂N₂O₂
Molecular Weight	277.14 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	276.0432331 g/mol
Monoisotopic Mass	276.0432331 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	254
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