For research use only. Not for therapeutic Use.
PFB-FDGlu (Cat No.:I044398) is a derivatizing reagent commonly used in analytical chemistry, particularly for GC-MS analysis of glucuronic acid conjugates. Its high sensitivity and volatility enhance the detection of trace levels of glucuronides in biological samples. PFB-FDGlu reacts with glucuronides to form stable, volatile derivatives suitable for sensitive and specific quantification. This compound is especially valuable in pharmacokinetic and drug metabolism studies, where precise detection of drug metabolites is crucial. Its utility extends to forensic toxicology, clinical research, and environmental testing involving glucuronidated compounds.
CAS Number | 209540-62-5 |
Synonyms | 2,3,4,5,6-pentafluoro-N-[3-oxo-3′,6′-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9′-xanthene]-5-yl]benzamide |
Molecular Formula | C39H32F5NO16 |
Purity | ≥95% |
IUPAC Name | 2,3,4,5,6-pentafluoro-N-[3-oxo-3',6'-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide |
InChI | InChI=1S/C39H32F5NO16/c40-24-23(25(41)27(43)28(44)26(24)42)35(54)45-12-1-4-16-15(7-12)36(55)61-39(16)17-5-2-13(56-37-33(52)31(50)29(48)21(10-46)59-37)8-19(17)58-20-9-14(3-6-18(20)39)57-38-34(53)32(51)30(49)22(11-47)60-38/h1-9,21-22,29-34,37-38,46-53H,10-11H2,(H,45,54)/t21-,22-,29-,30-,31+,32+,33-,34-,37-,38-/m1/s1 |
InChIKey | YYMJMZGTQFITLS-WXKYVOLFSA-N |
SMILES | C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OC24C5=C(C=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC7=C4C=CC(=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |