CAS 853904-68-4

(1S,3aS,3bR,5aS,10aS,10bS,12aS)-1-hydroxy-10a,12a-dimethyl-1-(~2~H_3_)methyl(2,2-~2~H_2_)-2,3,3a,3b,4,5,5a,6,7,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-9(1H)-one

Description:

The chemical substance with the name "(1S,3aS,3bR,5aS,10aS,10bS,12aS)-1-hydroxy-10a,12a-dimethyl-1-(~2~H_3_)methyl(2,2-~2~H_2_)-2,3,3a,3b,4,5,5a,6,7,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-9(1H)-one" and CAS number "853904-68-4" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple stereocenters contributing to its chiral nature. This compound features a hydroxyl group, indicating it is an alcohol, and contains several methyl groups that influence its hydrophobic characteristics. The presence of a hexadecahydro framework suggests a saturated structure, which may affect its reactivity and solubility in various solvents. The specific stereochemistry indicated by the nomenclature implies that the compound may exhibit unique biological activity, potentially making it of interest in medicinal chemistry. Its detailed structural features, including the cyclopenta and naphtho moieties, suggest potential interactions with biological targets, warranting further investigation into its pharmacological properties.

Formula: C₂₁H₂₇D₅N₂O₂

InChI: InChI=1/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1/i3D3,9D2

3’-Hydroxy Stanozolol-d5

Controlled Product

CAS: 853904-68-4

Applications It is one of the main labelled metabolite of Stanozolol (S684500), an internal standard in doping analysis.
References Chung, B., et al.: J. Anal. Toxicol., 14, 91 (1990), Schanzer, W., et al.: J. Steroid Biochem., 36, 153 (1990), Phillis, B., et al.: Eur. J. Pharmacol., 398, 263 (2000),

Formula: C₂₁H₂₇D₅N₂O₂

Color and Shape: Neat

Molecular weight: 349.52

Ref: TR-H953532