CAS 302-23-8

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Also known as: 302-23-8, 17alpha-acetoxyprogesterone, 17308-02-0, 17-hydroxypregn-4-ene-3,20-dione acetate, 17alpha-acetoxy-progesterone, L124o66ysi

Molecular Formula

C₂₃H₃₂O₄

Molecular Weight

372.5 g/mol

InChI Key

VTHUYJIXSMGYOQ-KOORYGTMSA-N

FDA UNII

L124O66YSI

1 2D Structure

CAS 302-23-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

2.1.2 InChI

InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1

2.1.3 InChI Key

VTHUYJIXSMGYOQ-KOORYGTMSA-N

2.1.4 Canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C

2.1.5 Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C

2.2 Other Identifiers

2.2.1 UNII

L124O66YSI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 302-23-8

2. 17alpha-acetoxyprogesterone

3. 17308-02-0

4. 17-hydroxypregn-4-ene-3,20-dione Acetate

5. 17alpha-acetoxy-progesterone

6. L124o66ysi

7. 17alpha-hydroxyprogesterone Acetate

8. 17

9. A-hydroxyprogesterone Acetate

10. [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

11. 17-(acetyloxy)progesterone

12. Prokan

13. 17-hydroxyprogesterone Acetate

14. 17.alpha.-acetoxyprogesterone

15. 3,20-dioxopregn-4-en-17-yl Acetate

16. 17-acetoxyprogesterone

17. [(8s,9r,10s,13r,14r,17s)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

18. U 5533

19. 17-ap

20. Prodox Acetate

21. Nsc-12191

22. Acetoxyprogesterone

23. Pregn-4-ene-3,20-dione, 17-hydroxy-, Acetate

24. Hydroxyprogesterone-acetate

25. Unii-l124o66ysi

26. Schembl260023

27. Chembl3273984

28. Dtxsid90894096

29. Bcpp000210

30. Hy-n0347

31. Zinc3881610

32. Einecs 206-119-6

33. Mfcd00021156

34. Nsc 12191

35. Akos015955630

36. 17-hydroxyprogesterone 17alpha-acetate

37. Ac-6840

38. Bcp9000766

39. 17alpha-acetoxy-4-pregnene-3,20-dione

40. 17alpha-acetoxypregn-4-ene-3,20-dione

41. 17alpha-acetoxypregnen-4-en-3,20-dion

42. 17-(acetyloxy)pregn-4-ene-3,20-dione

43. Ds-11426

44. 17-hydroxypregn-4-ene-3,20-dioneacetate

45. 3,20-dioxopregn-4-en-17-beta-ylacetate

46. 17.alpha.-acetoxy-4-pregnene-3,20-dione

47. 3,20-dioxo-4-pregnen-17alpha-yl Acetate

48. Hydroxyprogesterone Acetate [who-dd]

49. Hydroxyprogesterone Acetate [who-ip]

50. Cs-0015252

51. H1527

52. U5533

53. 4-pregnen-17.alpha.-ol-3,20-dione Acetate

54. D97614

55. Ec 206-119-6

56. U-5533

57. 17alpha-hydroxypregn-4-ene-3,20-diene Acetate

58. 17alpha-hydroxyprogesterone 17-acetate, >=98%

59. Megestrol Acetate Impurity K [ep Impurity]

60. 17.alpha.-hydroxy-4-pregnene-3,20-dione 17-acetate

61. Medroxyprogesterone Acetate Impurity H [who-ip]

62. Q19597551

63. 3,20-dioxopregn-4-en-17-yl Acetate [who-ip]

64. 17.alpha.-hydroxy-4-pregnene-3,20-dione Acetate

65. Medroxyprogesterone Acetate Impurity H [ep Impurity]

66. Chlormadinone Acetate Impurity G, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₂O₄
Molecular Weight	372.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	372.23005950 g/mol
Monoisotopic Mass	372.23005950 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	737
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1