11β,17α-dihydroxy-6α-methylpregna-1,4-diene-3,20-dione (cas 6870-94-6)

11β,17α-Dihydroxy-6α-methylpregna-1,4-diene-3,20-dione (6870-94-6) Comprehensive Information Table ​Category ​Details ​Chemical Name (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione ​CAS Number 6870-94-6 ​Synonyms NSC 125051, Fluorometholone Impurity 1, Methylprednisolone EP Impurity L, Cortisol-17β acid ​Chemical Formula C₂₂H₃₀O₄ ​Molecular Weight 358.47 ​EINECS Number 614-710-9 ​Melting Point 222–231°C ​Boiling Point 530.3 ± 50.0°C (predicted) ​Density 1.21 ± 0.1 g/cm³ (predicted) ​pKa 12.86 ± 0.70 (predicted) ​Appearance White to pale beige solid ​Solubility Slightly soluble in chloroform, DMSO, and methanol (sonicated) ​Optical Activity [α]²⁵/D +190° ±5° (c = 1 in chloroform) ​Applications ​Pharmaceutical Intermediate: Critical impurity in fluorometholone synthesis; used for quality control in corticosteroid formulations.Research Use: Steroid metabolism studies and impurity profiling. ​Quality Control – ​HPLC: C18 column, methanol-water (60:40) mobile phase, UV detection at 240 nm.– ​Impurity Limits: Compliant with EP/USP standards (≤0.1% for key impurities). ​Synthesis Pathway 1. ​Hydroxylation: Introduction of 11β- and 17α-hydroxyl groups via microbial or chemical methods.2. ​Methylation: C6α-methylation using methylating agents (e.g., methyl iodide). ​Safety Information ​Hazard Codes: Xi (Irritant), N (Dangerous for the environment)Risk Statements: R36/37/38 (irritating to eyes, respiratory system, skin); R51/53 (toxic to aquatic life).Precautionary Measures: S22 (Avoid inhalation), S24/25 (Avoid contact), S61 (Avoid release to environment). ​MSDS Available from suppliers Supplementary Notes For detailed toxicological data or formulation protocols, consult specialized pharmacological references (e.g., PubChem, ChemSpider).