CAS 853-23-6

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5 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 853-23-6, Prasterone acetate, Dehydroisoandrosterone 3-acetate, Androstenolone acetate, Dehydroisoandrosterone acetate, Dehydroepiandrosterone 3-acetate

Molecular Formula

C₂₁H₃₀O₃

Molecular Weight

330.5 g/mol

InChI Key

NCMZQTLCXHGLOK-ZKHIMWLXSA-N

FDA UNII

45751H45MY

1 2D Structure

CAS 853-23-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

2.1.2 InChI

InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

2.1.3 InChI Key

NCMZQTLCXHGLOK-ZKHIMWLXSA-N

2.1.4 Canonical SMILES

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C

2.1.5 Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C

2.2 Other Identifiers

2.2.1 UNII

45751H45MY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 853-23-6

2. Prasterone Acetate

3. Dehydroisoandrosterone 3-acetate

4. Androstenolone Acetate

5. Dehydroisoandrosterone Acetate

6. Dehydroepiandrosterone 3-acetate

7. Dhea Acetate

8. Trans-dehydroandrosterone Acetate

9. Androst-5-en-17-one, 3-(acetyloxy)-, (3b)-

10. 3beta-acetoxy-5-androstene-17-one

11. Dehydroisoandosterone 3-acetate

12. [(3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate

13. 3beta-acetoxyandrost-5-en-17-one

14. 45751h45my

15. (3beta)-17-oxoandrost-5-en-3-yl Acetate

16. Dsstox_cid_380

17. Dsstox_rid_75554

18. Dsstox_gsid_20380

19. Ccris 7926

20. 3-beta-acetoxydehydroepiandrosterone

21. Skf 2847

22. Einecs 212-714-1

23. 5-androsten-3beta-ol-7-one Acetate

24. 17-oxoandrost-5-en-3beta-yl Acetate

25. Delta5-dehydroepiandrosterone 3-acetate

26. Dehydroepiandrost-5-en-17-one 3-acetate

27. 3beta-hydroxy-5-androsten-17-one Acetate

28. 3beta-hydroxyandrost-5-en-17-one Acetate

29. 3beta-hydroxy-5-androstene-17-one Acetate

30. 3-beta-hydroxyandrost-5-en-17-one Acetate

31. 3beta-hydroxyandrost-5-en-17-one 3-acetate

32. Unii-45751h45my

33. 17-oxoandrost-5-en-3-yl Acetate #

34. Prasterone-acetate

35. Ncgc00016544-01

36. Cas-853-23-6

37. Androst-5-en-17-one, 3-(acetyloxy)-, (3-beta)-

38. Prestwick0_000937

39. Prestwick1_000937

40. Prestwick2_000937

41. Prestwick3_000937

42. Androst-5-en-17-one, 3-beta-hydroxy-, Acetate

43. Bspbio_000874

44. Mls002154068

45. Schembl298142

46. Spbio_003043

47. Bpbio1_000962

48. Chembl1480686

49. Dtxsid3020380

50. Chebi:135410

51. 3betaacetoxy-5-androstene-17-one

52. Hms1570l16

53. Hms2097l16

54. Hms2230i06

55. Hms3714l16

56. 3beta-acetoxy-5-androsten-17-one

57. (3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Acetate

58. Hy-b1405

59. Zinc3881408

60. 3beta-acetoxy-androst-5-en-17-one

61. Tox21_110485

62. Tox21_200963

63. S5508

64. 3-(acetyloxy)androst-5-ene-17-one

65. 3beta-acetoxy-5-androstene -17-one

66. Akos015895423

67. Ccg-220937

68. Cs-6082

69. Dehydroisoandrosterone 3-acetate, 97%

70. Fd12035

71. Ncgc00179388-01

72. Ncgc00179388-02

73. Ncgc00258516-01

74. As-20015

75. Smr001233383

76. (3?)-17-oxoandrost-5-en-3-yl Acetate

77. 5-androsten-3.beta.-ol-17-one, 3-acetate

78. Ab00171449

79. D0045

80. 853d236

81. Q-200934

82. Brd-k96527333-001-03-4

83. Q27258813

84. Acetic Acid (3s,8r,10r,13s)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₃
Molecular Weight	330.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	330.21949481 g/mol
Monoisotopic Mass	330.21949481 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	606
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