CAS 4271-30-1

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 4271-30-1, (s)-2-(4-aminobenzamido)pentanedioic acid, 4-aminobenzoylglutamic acid, N-(p-aminobenzoyl)glutamic acid, P-aminobenzoylglutamic acid, P-aminobenzoyl-l-glutamic acid

Molecular Formula

C₁₂H₁₄N₂O₅

Molecular Weight

266.25 g/mol

InChI Key

GADGMZDHLQLZRI-VIFPVBQESA-N

FDA UNII

9BKY99A8HJ

1 2D Structure

CAS 4271-30-1

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. 4-aminobenzoylglutamic Acid

4. N-(p-aminobenzoyl)glutamic Acid

5. P-aminobenzoylglutamic Acid

6. P-aminobenzoyl-l-glutamic Acid

7. H-4-abz-glu-oh

8. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid

9. L-n-(p-aminobenzoyl)glutamic Acid

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

11. Chebi:61114

12. (4-aminobenzoyl)-l-glutamic Acid

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

14. 9bky99a8hj

15. 532-63-8

16. Chembl3278332

17. Folic Acid Impurity A

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

19. 4-aminobenzoic Glutamic Acid

20. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid (n-(4-aminobenzoyl)-l-glutamic Acid)

21. Unii-9bky99a8hj

22. N-(4-aminobenzoyl)glutamic Acid

23. Mfcd00042821

24. Nsc-71042

25. N-4-aminobenzoyl-l-glutamic Acid

26. Einecs 224-261-7

27. Nsc 71042

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

29. 4-aminobenzoylglutamate

30. Methotrexate Impurity K

31. Glutamic Acid, N-(p-aminobenzoyl)-, L-

32. Schembl63083

33. 4-aminobenzoyl-l-glutamic Acid

34. Dtxsid10873641

35. Bcp15199

36. Zinc1696610

37. Bdbm50542900

38. Akos010366208

39. Akos015855631

40. Cs-w012429

41. Hy-w011713

42. (p-aminobenzoyl)-l-glutamic Acid

43. Aminobenzoyl-l-glutamic Acid, P-

44. 4-aminobenzoylglutamic Acid [dsc]

45. Ds-15609

46. (-)-n-(p-aminobenzoyl)glutamic Acid

47. 4-aminobenzoylglutamic Acid [usp-rs]

48. A0442

49. Am20060626

50. Methotrexate Impurity K [ep Impurity]

51. A-5000

52. 271a301

53. A825991

54. Calcium Folinate Impurity A [ep Impurity]

55. N-(4-aminobenzoyl)-l-glutamic Acid [mi]

56. (2s)-2-[(4-aminophenyl)formamido]pentanedioic Acid

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

58. Q27130821

59. (2s)-2((4-aminobenzoyl)amino)pentanedioic Acid

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

61. 4-aminobenzoylglutamic Acid, United States Pharmacopeia (usp) Reference Standard

62. 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 Formula	C₁₂H₁₄N₂O₅
Molecular Weight	266.25 g/mol
XLogP3	0
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	266.09027155 g/mol
Monoisotopic Mass	266.09027155 g/mol
Topological Polar Surface Area	130 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	350
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	1

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CAS Number

4271-30-1

Intermediate Name

N-(4-Aminobenzoyl)-L-glutamic acid

About the Company

Further Pharmaceutical (www.further-pharm.com) is an innovation-driven and service-oriented biopharmaceut...

Further Pharmaceutical (www.further-pharm.com) is an innovation-driven and service-oriented biopharmaceutical company with global operations that develops and manufactures specialty and generic drugs, pharmaceutical intermediates and APIs. We remain focused on advancing innovative drug formulations and progressing therapeutic products to improve human health and quality of life while reducing the medical expenses.

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