(1S,2S,4R,7S,10R,11S,14S,15S)-14-hydroxy-14-(2H3)methyl-2,4,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one

• ChemBase ID: 172586
• Molecular Formular: C21H34O2
• Molecular Mass: 318.49346
• Monoisotopic Mass: 318.25588033
• SMILES: [C@@H]1(C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C)C)C)C
• Canonical SMILES: O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@H]3CC[C@]1(C)O)C
• InChI: InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1
• InChIKey: QCWCXSMWLJFBNM-FOVYBZIDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,4R,7S,10R,11S,14S,15S)-14-hydroxy-14-(^2H₃)methyl-2,4,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-one
• IUPAC Traditional name: (1S,2S,4R,7S,10R,11S,14S,15S)-14-hydroxy-14-(^2H₃)methyl-2,4,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-one
• Synonyms: (2α,5α,17β)-17-Hydroxy-2,17-dimethylandrostan-3-one-d3; 17β-Hydroxy-2α,17-dimethyl-5α-androstan-3-one-d3; 17-Methyldrostanolone-d3; 2α,17α-Dimethyldihydrotestosterone-d3; Methasteron-d3; NSC 40490-d3; Superdrol-d3; Methasterone-d3

Database IDs

• PubChem SID: 164228496
• PubChem CID: 71749927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2348204
• LogD (pH = 7.4): 4.2348204
• Log P: 4.2348204
• Molar Refractivity: 92.8158 cm^3
• Polarizability: 37.18642 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M226012

Methasterone is an anabolic androgenic steroid. Methasterone is one of the anabolic steroids screened by the World Anti-Doping Agency (WADA).

REFERENCES

• Krishnan, P.V. et al.: J. Clin. Castroenterol., 43, 672 (2009)
• Clarke, A. et al.: Drug Test. Anal., 3, 74 (2009)