Testosterone Isocaproate

Synopsis, Chemistry

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Also known as: 15262-86-9, Chebi:35001, X8st05gydm, [(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] 4-methylpentanoate, Testosterone isocapronate, Chembl3189011

Molecular Formula

C₂₅H₃₈O₃

Molecular Weight

386.6 g/mol

InChI Key

PPYHLSBUTAPNGT-BKWLFHPQSA-N

FDA UNII

X8ST05GYDM

1 2D Structure

Testosterone Isocaproate

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] 4-methylpentanoate

2.1.2 InChI

InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1

2.1.3 InChI Key

PPYHLSBUTAPNGT-BKWLFHPQSA-N

2.1.4 Canonical SMILES

CC(C)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

X8ST05GYDM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 15262-86-9

2. Chebi:35001

3. X8st05gydm

4. [(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] 4-methylpentanoate

5. Testosterone Isocapronate

6. Chembl3189011

7. 17beta-hydroxyandrost-4-ene-3-one 4-methylvalerate

8. Nsc-26641

9. Androst-4-en-3-one, 17-[(4-methyl-1-oxopentyl)oxy]-, (17b)-

10. (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 4-methylpentanoate

11. Unii-x8st05gydm

12. Testosterone, 17-(4-methylvalerate)

13. Ncgc00181019-01

14. Einecs 239-307-1

15. Nsc 26641

16. Dsstox_cid_26806

17. Dsstox_rid_81920

18. Dsstox_gsid_46806

19. Testosterone 4-methylvalerate

20. Testosterone, 17-isocaproate

21. Schembl354423

22. Gtpl7629

23. Dtxsid0046806

24. Nsc26641

25. Zinc4538407

26. Tox21_112669

27. Androst-4-en-3-one, 17-((4-methyl-1-oxopentyl)oxy)-, (17beta)-

28. Androst-4-en-3-one, 17-[(4-methyl-1-oxopentyl)oxy]-, (17.beta.)-

29. Bdbm50103618

30. Mfcd00133848

31. Akos015901952

32. Testosterone, 17-(4-methylpentanoate)

33. Testosterone Isocaproate [mart.]

34. Testosterone Isocaproate [who-dd]

35. Ds-11482

36. Cas-15262-86-9

37. Testosterone Isocaproate, Analytical Standard

38. Testosterone Isocaproate For System Suitability

39. D97820

40. Testosterone Isocaproate [ep Monograph]

41. Testosterone Isocaproate--dea*schedule Iii Item

42. 262t869

43. A809335

44. Testosterone Isocaproate 1.0 Mg/ml In Acetonitrile

45. W-108049

46. Androst-4-en-3-one, 17-(4-methyl-1-oxopentyloxy]-

47. Q21099574

48. 3-oxoandrost-4-en-17.beta.-yl 4-methylpentanoate

49. 17.beta.-hydroxyandrost-4-en-3-one 4-methylpentanoate

50. 2-(1-imidazoylsulfonyl)-1,3,5-tri-o-benzoyl-alpha-d-ribofuranose

51. Testosterone Isocaproate, European Pharmacopoeia (ep) Reference Standard

52. [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate

53. 4-methylpentanoic Acid [(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] Ester

54. Testosterone Isocaproate For System Suitability, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₈O₃
Molecular Weight	386.6 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	386.28209507 g/mol
Monoisotopic Mass	386.28209507 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	677
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