Isoflupredone-d3 (d2 Major)

• CAT Number: R050765
• CAS Number: NA
• Molecular Formula: C₂₁H₂₄D₃FO₅
• Molecular Weight: 381.45
• Purity: ≥95%
• Synonyms: (11β)-9-Fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione-d3; 9-Fluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione-d3; 9-Fluoroprednisolone-d3; 9α-Fluoro-1-cortisol-d3; Δ-Fluorocortisone-d3; NSC 12174-d3
• Storage: -20°C
• IUPAC Name: (8S,9R,10S,11S,14S,17R)-4,6,6-trideuterio-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-3-one
• InChI: InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19?,20-,21-/m0/s1/i3D2,9D
• InChIKey: WAIJIHDWAKJCBX-KDULLPCLSA-N
• SMILES: [2H]C1=C2[C@](C=CC1=O)([C@@]3([C@@H](CC2([2H])[2H])[C@@H]4CC[C@@](C4(C[C@@H]3O)C)(C(=O)CO)O)F)C

Isoflupredone-d3 is a deuterated form of isoflupredone, where three hydrogen atoms are replaced with deuterium. This compound is used as an internal standard in analytical chemistry, particularly in mass spectrometry, to accurately quantify and track isoflupredone in biological and chemical samples. The deuterium labeling allows for precise differentiation from non-labeled isoflupredone, facilitating accurate measurement of the drug’s concentration and metabolism. Isoflupredone-d3 is valuable in pharmacokinetic studies and research on corticosteroids for understanding their absorption, distribution, metabolism, and excretion (ADME) properties, as well as their therapeutic and adverse effects.