(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl (2H19)decanoate

• ChemBase ID: 174955
• Molecular Formular: C28H44O3
• Molecular Mass: 428.64716
• Monoisotopic Mass: 428.32904527
• SMILES: C1CC(=O)C=C2[C@H]1[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
• InChI: InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1
• InChIKey: JKWKMORAXJQQSR-MOPIKTETSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl (^2H₁₉)decanoate
• IUPAC Traditional name: (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl (^2H₁₉)decanoate
• Synonyms: Anabolicum-d19; Anabolin Forte-d19; Deca-Durabol-d19; Deca-Durabolin-d19; Deca-Hybolin-d19; Decanofort-d19; Extraboline-d19; Hybolin Decanoate-d19; Nandrobolic LA-d19; Norandrostenolone Decanoate-d19; Nortestosterone Decanoate-d19; Retabolil-d19; Nandrolone Decanoate-d19; 17β-Hydroxy-19-norandrost-4-en-3-one 17-Decanoate-d19; 17β-Hydroxyestr-4-en-3-one 17-Decanoate-d19; 17β-Hydroxyestr-4-en-3-one Decanoate-d19; 17β-Nandrolone laureate-d19; 17β-Nortestosterone laureate-d19; 19-Nor-17β-hydroxy-3-ketoandrost-4-ene 17-Decanoate-d19; 19-Norandrostenolone Decanoate-d19; 19-Nortestosterone 17β-Decanoate-d19; 19-Nortestosterone Decanoate-d19

Database IDs

• PubChem SID: 164230865
• PubChem CID: 71750927

CALCULATED PROPERTIES

• Acid pKa: 19.278885
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.319018
• LogD (pH = 7.4): 7.319018
• Log P: 7.319018
• Molar Refractivity: 125.9401 cm^3
• Polarizability: 49.98545 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - N315022

Labelled analogue of Nandrolone Decanoate, an anabolic steroid. Nandrolone decanoate is used in the treatment of osteoporosis in postmenopausal women. Nandrolone Decanoate is also used for some aplastic anemias. Controlled Substance.

REFERENCES

• Dhem, A. et al.: Curr. Med. Res. Opin., 6, 606 (1980)
• Lippi, G. et al.: Scand. J. Clin. Lab. Invest., 57, 507 (1980)
• Frisoli, A. et al.: J. Gerontol. Ser. A Biol. Sci. Med. Sci., 60A, 648 (1980)
• Sheashaa, H. et al.: Nephron, 99, c102 (1980)