CAS 39994-75-7

Chemistry, 1 End Use API

Chemistry
1 End Use API

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Also known as: 39994-75-7, L-threonine methyl ester hydrochloride, H-thr-ome.hcl, L-threonine methyl ester hcl, L-threonine methyl ester, hcl, L-threonine, methyl ester, hydrochloride

Molecular Formula

C₅H₁₂ClNO₃

Molecular Weight

169.61 g/mol

InChI Key

OZSJLLVVZFTDEY-HJXLNUONSA-N

1 2D Structure

CAS 39994-75-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride

2.1.2 InChI

InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1

2.1.3 InChI Key

OZSJLLVVZFTDEY-HJXLNUONSA-N

2.1.4 Canonical SMILES

CC(C(C(=O)OC)N)O.Cl

2.1.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)N)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 39994-75-7

2. L-threonine Methyl Ester Hydrochloride

3. H-thr-ome.hcl

4. L-threonine Methyl Ester Hcl

5. L-threonine Methyl Ester, Hcl

6. L-threonine, Methyl Ester, Hydrochloride

7. (2s,3r)-methyl 2-amino-3-hydroxybutanoate Hydrochloride

8. Methyl (2s,3r)-2-amino-3-hydroxybutanoate Hydrochloride

9. Methyl (2s,3r)-2-amino-3-hydroxybutanoate;hydrochloride

10. Threonine Methyl Ester Hydrochloride

11. [(2s,3r)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]azanium;chloride

12. Dl-threonine Methyl Ester Hydrochloride

13. Threonine Methyl Ester Hcl

14. Methyl L-threoninate Hcl

15. Mfcd00037677

16. Einecs 254-738-5

17. H-thr-ome?cl

18. H-thr-ome Hydrochloride

19. L-threonine Methyl Ester.hcl

20. Schembl156159

21. Chembl1221904

22. Dtxsid20193049

23. L-threoninemethylesterhydrochloride

24. Akos015924193

25. Am82244

26. Cs-w008086

27. Hy-w008086

28. L-threonine Methyl Ester, Hydrochloride

29. Threonine Methyl Ester Hydrochloride Salt

30. Ds-15147

31. M02985

32. 994t757

33. A824841

34. Q-102761

35. Threonine Methyl Ester Hydrochloride (h-l-thr-ome.hcl)

36. (2s,3r)-2-amino-3-hydroxy-butyric Acid Methyl Ester Hydrochloride

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂ClNO₃
Molecular Weight	169.61 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	169.0505709 g/mol
Monoisotopic Mass	169.0505709 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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

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L-Threonine Methyl Ester HCl

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CAS Number

39994-75-7

End Use API

About the Company

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

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