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CAS 4271-30-1
PharmaCompass
CAS 4271-30-1
Also known as: 4271-30-1, (s)-2-(4-aminobenzamido)pentanedioic acid, N-(p-aminobenzoyl)glutamic acid, P-aminobenzoyl-l-glutamic acid, P-aminobenzoylglutamic acid, 4-aminobenzoylglutamic acid
Molecular Formula
C12H14N2O5
Molecular Weight
266.253  g/mol
InChI Key
GADGMZDHLQLZRI-VIFPVBQESA-N
FDA UNII
9BKY99A8HJ

1 2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
2.1.2 InChI
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
2.1.3 InChI Key
GADGMZDHLQLZRI-VIFPVBQESA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N
2.1.5 Isomeric SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
9BKY99A8HJ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-aminobenzoylglutamic Acid

2. 4-aminobenzoylglutamic Acid, (d)-isomer

3. 4-aminobenzoylglutamic Acid, (l)-isomer Ion

4. Glutamyl-p-aminobenzoic Acid

5. N-(p-aminobenzoyl)glutamic Acid

6. P-aminobenzoylglutamate

7. P-aminobenzoylglutamic Acid

8. Pabga

9. Para-aminobenzoylglutamic Acid

2.3.2 Depositor-Supplied Synonyms

1. 4271-30-1

2. (s)-2-(4-aminobenzamido)pentanedioic Acid

3. N-(p-aminobenzoyl)glutamic Acid

4. P-aminobenzoyl-l-glutamic Acid

5. P-aminobenzoylglutamic Acid

6. 4-aminobenzoylglutamic Acid

7. L-n-(p-aminobenzoyl)glutamic Acid

8. Unii-9bky99a8hj

9. 4-aminobenzoyl-poly-gamma-glutamate

10. 4-aminobenzoic Glutamic Acid

11. 9bky99a8hj

12. Chebi:61114

13. Gadgmzdhlqlzri-vifpvbqesa-n

14. Ak-64653

15. A-5000

16. N-(4-aminobenzene-1-carbonyl)-l-glutamic Acid

17. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid

18. 76567-21-0

19. N-(4-aminobenzoyl)glutamic Acid

20. Pabpgga

21. L-glutamic Acid, N-(4-aminobenzoyl)-

22. N-4-aminobenzoyl-l-glutamic Acid

23. Einecs 224-261-7

24. Nsc 71042

25. N-(p-aminobenzoyl)-l-glutamic Acid

26. N-(p-aminobenzoyl)glutamic Acid (van)

27. 4-aminobenzoylglutamate

28. Methotrexate Impurity K

29. Para-aminobenzoylpoly-gamma-glutamic Acid

30. N-(4-aminobenzoyl)-gamma-oligo-(glutamic Acid)

31. Schembl63083

32. Ksc491m8l

33. Ac1l51s8

34. Chembl3278332

35. Ctk3j1685

36. Ks-00000oto

37. Bia1350

38. Dtxsid80227354

39. Ebd3087

40. Molport-003-925-547

41. N-(4-aminobenzoyl)-glutamic Acid

42. Zx-afc000665

43. Bcp15199

44. Zinc1696610

45. Anw-29859

46. Sbb063732

47. Akos010366208

48. Akos015855631

49. Acm4271301

50. Rtr-016676

51. Aj-30311

52. Br-64653

53. Ds-15609

54. S596

55. Sc-46977

56. Ab0018694

57. Ax8213211

58. Tr-016676

59. A0442

60. Am20060626

61. Ft-0629198

62. St24020805

63. L-glutamic Acid, N-(4-aminobenzoyl)- (9ci)

64. M-1464

65. Glutamic Acid, N-(p-aminobenzoyl)-, L- (8ci)

66. 271a301

67. (2s)-2-[(4-aminophenyl)formamido]pentanedioic Acid

68. L-glutamic Acid, N-(4-aminobenzoyl)-, Homopolymer

69. N-(4-aminobenzoyl)-l-glutamic Acid, >=98% (tlc)

70. (2s)-2-[(4-aminophenyl)carbonylamino]pentanedioic Acid

71. 6-chloro-2,4-(1h,3h)-pyrimidinedione; 4-chloro-2,6-dihydroxypyrimidine

72. Folic Acid Impurity A, European Pharmacopoeia (ep) Reference Standard

73. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid (n-(4-aminobenzoyl)-l-glutamic Acid)

74. 4-aminobenzoylglutamic Acid, United States Pharmacopeia (usp) Reference Standard

75. 532-63-8

76. N-(4-aminobenzoyl)-l-glutamic Acid (folic Acid Imp A), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 266.253 g/mol
Molecular Formula C12H14N2O5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass266.09 g/mol
Monoisotopic Mass266.09 g/mol
Topological Polar Surface Area130 A^2
Heavy Atom Count19
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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