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CAS 1118-89-4

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3 Suppliers, 3 End Use APIs, 19 Related Intermediates

3 Suppliers
3 End Use APIs
19 Related Intermediates

Chemistry

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Also known as: 1118-89-4, L-glutamic acid diethyl ester hydrochloride, H-glu(oet)-oet.hcl, Diethyl glutamate hydrochloride, L-glutamic acid diethyl ester, hcl, Glutamic acid, diethyl ester, hydrochloride

Molecular Formula

C₉H₁₈ClNO₄

Molecular Weight

239.69 g/mol

InChI Key

WSEQLMQNPBNMSL-FJXQXJEOSA-N

1 2D Structure

CAS 1118-89-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl (2S)-2-aminopentanedioate;hydrochloride

2.1.2 InChI

InChI=1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1

2.1.3 InChI Key

WSEQLMQNPBNMSL-FJXQXJEOSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCC(C(=O)OCC)N.Cl

2.1.5 Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Glutamic Acid Diethyl Ester

2. Glutamic Acid Diethyl Ester Hydrochloride

3. Glutamic Acid Diethyl Ester Hydrochloride, (d)-isomer

4. Glutamyl Diethyl Ester

5. L-glutamate Diethylester

2.2.2 Depositor-Supplied Synonyms

1. 1118-89-4

2. L-glutamic Acid Diethyl Ester Hydrochloride

3. H-glu(oet)-oet.hcl

4. Diethyl Glutamate Hydrochloride

5. L-glutamic Acid Diethyl Ester, Hcl

6. Glutamic Acid, Diethyl Ester, Hydrochloride

7. Diethyl (2s)-2-aminopentanedioate;hydrochloride

8. L-glutamic Acid Diethyl Ester Hcl

9. (s)-diethyl 2-aminopentanedioate Hydrochloride

10. 1,5-diethyl (2s)-2-aminopentanedioate Hydrochloride

11. Glutamic Acid Diethyl Ester Hydrochloride

12. Mfcd00012509

13. Diethyl L-glutaminate Hydrochloride

14. Einecs 214-270-4

15. Nsc 12960

16. Nsc 17007

17. Diethyl (2s)-2-aminopentanedioate Hydrochloride

18. Glutamic Acid, Diethyl Ester, Hydrochloride, L-

19. H-glu-oet.hcl

20. H-glu(oet)-oet?cl

21. L-h-glu(oet)oet.hcl

22. H-glu(oet)-oet. Hcl

23. L-glutamic Acid Alpha,gamma-diester Hydrochloride

24. Mls006010849

25. Schembl134418

26. Diethyl-l-glutamate Hydrochloride

27. L-glutamic Acid Diethylester Hcl

28. L-glutamic Acid, 1,5-diethyl Ester, Hydrochloride (1:1)

29. Act05229

30. Bcp07306

31. Glutamate Diethyl Ester Hydrochloride

32. Akos015845445

33. Akos015910184

34. Ac-6774

35. Am81749

36. Cs-w012814

37. Hy-w012098

38. L-glutamate Diethyl Ester Hydrochloride

39. (l)-glutamate Diethyl Ester Hydrochloride

40. As-12778

41. Smr004701773

42. G0179

43. A22784

44. 118g894

45. L-glutamic Acid Diethyl Ester Hydrochloride, 97%

46. J-300114

47. Q-101804

48. (s)-1,5-diethoxy-1,5-dioxopentan-2-amine Hydrochloride

49. L-glutamic Acid Diethyl Ester Hydrochloride L-glu(oet)-oet.hcl

50. L-glutamic Acid Diethyl Ester Hydrochloride;l-glutamic Acid Alpha,gamma-diester Hydrochloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₈ClNO₄
Molecular Weight	239.69 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	239.0924357 g/mol
Monoisotopic Mass	239.0924357 g/mol
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Anticonvulsants

Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

Excitatory Amino Acid Antagonists

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists. (See all compounds classified as Excitatory Amino Acid Antagonists.)

Psychotropic Drugs

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents). (See all compounds classified as Psychotropic Drugs.)

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