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CAS 1118-89-4
PharmaCompass
CAS 1118-89-4
Also known as: 1118-89-4, L-glutamic acid diethyl ester hydrochloride, H-glu(oet)-oet.hcl, Diethyl glutamate hydrochloride, H-glu(oet)-oet hcl, (s)-diethyl 2-aminopentanedioate hydrochloride
Molecular Formula
C9H18ClNO4
Molecular Weight
239.696  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 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. H-glu(oet)-oet Hcl

6. (s)-diethyl 2-aminopentanedioate Hydrochloride

7. Diethyl L-glutaminate Hydrochloride

8. Einecs 214-270-4

9. Nsc 12960

10. Nsc 17007

11. 1,5-diethyl (2s)-2-aminopentanedioate Hydrochloride

12. L-glutamic Acid, Diethyl Ester, Hydrochloride

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

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

15. Mfcd00012509

16. Ak-47724

17. Glutamic Acid, Diethyl Ester, Hydrochloride

18. C9h17no4.hcl

19. Glutamic Acid Diethyl Ester Hydrochloride

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

21. J-300114

22. Q-101804

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

24. Diethyl Glutamate Hydrochloride(1:1)

25. H-glu(oet)-oetcl

26. Pubchem10483

27. H-glu(oet)-oet?cl

28. Ac1q3eda

29. L-h-glu(oet)oet.hcl

30. H-glu(oet)-oet. Hcl

31. Glutamic Acid(oet)-oet Hcl

32. Ac1l2kw1

33. Ksc491m7n

34. Mls006010849

35. Schembl134418

36. Diethyll-glutaminatehydrochloride

37. Jsp000896

38. Ctk3j1676

39. L-glutamic Acid Diethylester Hcl

40. Molport-003-929-807

41. Wseqlmqnpbnmsl-fjxqxjeosa-n

42. 16450-41-2 (parent)

43. Act05229

44. Ebd51158

45. Ks-000001pf

46. Glutamate Diethyl Ester Hydrochloride

47. Anw-16338

48. Ch-323

49. Sbb070649

50. Akos015845445

51. Akos015910184

52. Ac-6774

53. Am81749

54. An-6608

55. Diethylester,hydrochloride,l-glutamicaci

56. L-glutamate Diethyl Ester Hydrochloride

57. Rp28392

58. (l)-glutamate Diethyl Ester Hydrochloride

59. Am001798

60. As-12778

61. At-18489

62. Bc224584

63. Kb-53199

64. Ls-71836

65. Smr004701773

66. Sy009545

67. Ab0012411

68. Ab1007202

69. Ax8017545

70. Db-041018

71. Tc-105083

72. Ft-0627829

73. G0179

74. L-glutamic Acid Diethyl Ester Dihydrochloride

75. St24033224

76. A22784

77. Z-4085

78. L-glutamic Acid Acid Diethyl Ester Hydrochloride

79. L-glutamic Acid Acid Diethyl Ester Hydrochloride;

80. 118g894

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

82. I14-3112

83. L-glutamic Acid Alpha,gamma-diethyl Ester Hydrochloride

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

85. 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 Weight 239.696 g/mol
Molecular Formula C9H18ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass239.092 g/mol
Monoisotopic Mass239.092 g/mol
Topological Polar Surface Area78.6 A^2
Heavy Atom Count15
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anticonvulsants

Drugs used to prevent SEIZURES or reduce their severity.


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).


Excitatory Amino Acid Antagonists

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.


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