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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 33996-33-7, N-acetyl-l-hydroxyproline, (2s,4r)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid, Ac-hyp-oh, Jonctum, Oxaceprol [inn]

Molecular Formula

C₇H₁₁NO₄

Molecular Weight

173.17 g/mol

InChI Key

BAPRUDZDYCKSOQ-RITPCOANSA-N

FDA UNII

Q0XV76B96L

1 2D Structure

Oxaceprol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1

2.1.3 InChI Key

BAPRUDZDYCKSOQ-RITPCOANSA-N

2.1.4 Canonical SMILES

CC(=O)N1CC(CC1C(=O)O)O

2.1.5 Isomeric SMILES

CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

Q0XV76B96L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Jonctum

2. N-acetyl Cis-4-hydroxy-l-proline

3. N-acetyl-4-hydroxyproline

4. N-acetylhydroxyproline

5. Oxaceprol, (cis)-isomer

6. Tejuntivo

2.3.2 Depositor-Supplied Synonyms

1. 33996-33-7

2. N-acetyl-l-hydroxyproline

3. (2s,4r)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic Acid

4. Ac-hyp-oh

5. Jonctum

6. Oxaceprol [inn]

7. L-proline, 1-acetyl-4-hydroxy-, (4r)-

8. Trans-1-acetyl-4-hydroxy-l-proline

9. N-acetyl-trans-4-hydroxy-l-proline

10. Acetyl Hydroxyproline

11. Q0xv76b96l

12. Oxaceprol (inn)

13. (-)-1-acetyl-4-hydroxy-l-proline

14. N-acetylhydroxyproline

15. Dsstox_cid_26410

16. Dsstox_rid_81589

17. Dsstox_gsid_46410

18. Oxaceprolum

19. Tejuntivo

20. Mfcd00037339

21. Smr000857165

22. Cas-33996-33-7

23. Oxaceprolum [inn-latin]

24. Unii-q0xv76b96l

25. Ahp 200

26. Ncgc00164517-01

27. Einecs 251-780-6

28. Jonctum (tn)

29. (4r)-1-acetyl-4-hydroxy-l-proline

30. Oxaceprol [mi]

31. Acetyl-l-4-hydroxyproline

32. Oxaceprol [mart.]

33. Oxaceprol [who-dd]

34. Schembl25976

35. Mls001332445

36. Mls001332446

37. Chembl1407356

38. Dtxsid2046410

39. Hms2231j23

40. Zinc154540

41. Acetyl Hydroxyproline [inci]

42. Tox21_112152

43. Ab1252

44. Akos012536015

45. Akos015837714

46. Tox21_112152_1

47. Acetyl-4-hydroxy-l-proline, Trans-1-

48. Ccg-266379

49. Cs-5680

50. Db13363

51. Nalpha-acetyl-l-4-trans-hydroxyproline

52. Ncgc00274081-01

53. Hy-17490

54. Ts-00164

55. Db-009006

56. S3997

57. Trans-1-acetyl-4-hydroxy-l-proline, >=98%

58. D07215

59. 996a337

60. A822032

61. Q408948

62. W-106758

63. (2s)-1-acetyl-3-hydroxy-pyrrolidine-2-carboxylic Acid

64. (2s,4r)-1-acetyl-4-hydroxy-2-pyrrolidinecarboxylic Acid

65. (2s,4r)-1-acetyl-4-hydroxy-pyrrolidine-2-carboxylic Acid

66. 2235464-65-8

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO₄
Molecular Weight	173.17 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	173.06880783 g/mol
Monoisotopic Mass	173.06880783 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	216
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antirheumatic Agents

Drugs that are used to treat RHEUMATOID ARTHRITIS. (See all compounds classified as Antirheumatic Agents.)

Dermatologic Agents

Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

4.2 ATC Code

D - Dermatologicals

D11 - Other dermatological preparations

D11A - Other dermatological preparations

D11AX - Other dermatologicals

D11AX09 - Oxaceprol

M - Musculo-skeletal system

M01 - Antiinflammatory and antirheumatic products

M01A - Antiinflammatory and antirheumatic products, non-steroids

M01AX - Other antiinflammatory and antirheumatic agents, non-steroids

M01AX24 - Oxaceprol

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