Testosterone Phenylpropionate

Synopsis, Chemistry

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Also known as: 1255-49-8, Retandrol, Testosterone 17-phenylpropionate, Testosterone hydrocinnamate, Testosterone phenpropionate, Testosterone, hydrocinnamate

Molecular Formula

C₂₈H₃₆O₃

Molecular Weight

420.6 g/mol

InChI Key

HHSXYDOROIURIP-FEZCWRLCSA-N

FDA UNII

8GN84GWX51

1 2D Structure

Testosterone Phenylpropionate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1

2.1.3 InChI Key

HHSXYDOROIURIP-FEZCWRLCSA-N

2.1.4 Canonical SMILES

CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35C

2.1.5 Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C

2.2 Other Identifiers

2.2.1 UNII

8GN84GWX51

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Retandrol

2. Testosterone 17-phenylpropionate

2.3.2 Depositor-Supplied Synonyms

1. 1255-49-8

2. Retandrol

3. Testosterone 17-phenylpropionate

4. Testosterone Hydrocinnamate

5. Testosterone Phenpropionate

6. Testosterone, Hydrocinnamate

7. Testolent

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

9. Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17beta)-

10. 17beta-hydroxyandrost-4-en-3-one 3-phenylpropionate

11. 8gn84gwx51

12. Chebi:35002

13. Nsc-26643

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

15. Einecs 215-014-4

16. Nsc 26643

17. Unii-8gn84gwx51

18. Ncgc00160504-01

19. Testanon 50 (tn)

20. Testosteron Phenylpropionate

21. Dsstox_cid_28638

22. Dsstox_rid_82908

23. Dsstox_gsid_48712

24. Schembl940358

25. Gtpl7628

26. Chembl2356993

27. Dtxsid5048712

28. Testosterone 17beta-phenpropionate

29. Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17-beta)-

30. Nsc26643

31. Zinc3881605

32. Tox21_113116

33. Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17.beta.)-

34. Mfcd00056484

35. Testosterone Phenyl Propionate

36. Akos015895428

37. Am84364

38. Ds-5641

39. Fd12013

40. Ac-28714

41. Cas-1255-49-8

42. Testosterone Phenylpropionate [mart.]

43. Testosterone Phenylpropionate [who-dd]

44. 3-oxoandrost-4-en-17-yl 3-phenylpropanoate #

45. D08574

46. 255t498

47. 4-androsten-17beta-ol-3-one 17-phenylpropionate

48. A805391

49. W-108401

50. Q27088964

51. Testosterone 17-phenylpropionate, Analytical Standard

52. 3-oxoandrost-4-en-17.beta.-yl 3-phenylpropionate

53. 17.beta.-hydroxyandrost-4-en-3-one 3-phenylpropionate

54. Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17?)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₆O₃
Molecular Weight	420.6 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	420.26644501 g/mol
Monoisotopic Mass	420.26644501 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	747
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