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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

Oxaceprol
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 Weight 173.17 g/mol
Molecular Formula C7H11NO4
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass173.06880783 g/mol
Monoisotopic Mass173.06880783 g/mol
Topological Polar Surface Area77.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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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