Cas no 72072-47-0 (Clofibric Acid Acyl-b-D-glucuronide (>90%))

Clofibric Acid Acyl-β-D-glucuronide (>90%) is a high-purity metabolite of clofibric acid, formed via glucuronidation, a key Phase II metabolic pathway. This compound is primarily used in pharmacokinetic and metabolic studies to investigate the biotransformation of clofibrate and related fibrate drugs. Its high purity (>90%) ensures reliable performance in analytical applications, such as LC-MS or HPLC, for quantifying drug metabolism and excretion. The acyl-glucuronide moiety enhances solubility, making it suitable for in vitro and in vivo studies. Researchers value this compound for its role in elucidating drug disposition mechanisms and assessing potential acyl-glucuronide-mediated toxicity.
Clofibric Acid Acyl-b-D-glucuronide (>90%) structure
72072-47-0 structure
Product Name:Clofibric Acid Acyl-b-D-glucuronide (>90%)
CAS No:72072-47-0
MF:C16H19ClO9
MW:390.769665002823
CID:566643
PubChem ID:155696
Update Time:2025-06-08

Clofibric Acid Acyl-b-D-glucuronide (>90%) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranuronic acid,1-[2-(4-chlorophenoxy)-2-methylpropanoate]
    • Clofibric Acid Acyl-b-D-glucuronide
    • CLOFIBRIC ACID ACYL-?-D-GLUCURONIDE
    • Clofibric Acid Acyl-β-D-glucuronide
    • 1-[2-(4-Chlorophenoxy)-2-methylpropanoate] b-D-Glucopyranuronic Acid
    • 1-[2-(4-Chlorophenoxy)-2-methylpropanoate]-D-Glucopyranuronic Acid
    • Clofibric Acid Acyl--D-glucuronide
    • Clofibric Acid Glucuronide
    • Clofibric b-Glucuronide
    • Clofibric-Glucuronide
    • Clofibryl Glucuronide
    • Clofibric Acid Acyl-b-D-glucuronide (>90%)
    • 1-O-[2-(4-Chlorophenoxy)-2-methylpropanoyl]hexopyranuronic acid
    • beta-D-Glucopyranuronic acid, 1-(2-(4-chlorophenoxy)-2-methylpropanoate)
    • Clofibric Acid Acyl-
    • Clofibric Acid Acyl-beta-D-glucuronide (90per cent)
    • 72072-47-0
    • DTXSID10992801
    • (2S,3S,4S,5R,6S)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • Clofibric Acid Acyl-?-D-glucuronide (90%)
    • A-D-glucuronide (90%)
    • Clofibric beta-glucuronide
    • Inchi: 1S/C16H19ClO9/c1-16(2,26-8-5-3-7(17)4-6-8)15(23)25-14-11(20)9(18)10(19)12(24-14)13(21)22/h3-6,9-12,14,18-20H,1-2H3,(H,21,22)/t9-,10-,11+,12-,14-/m0/s1
    • InChI Key: LCJVUUVMVSSIGZ-HNRZYHPDSA-N
    • SMILES: ClC1C=CC(=CC=1)OC(C)(C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O

Computed Properties

  • Exact Mass: 390.07200
  • Monoisotopic Mass: 390.072
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 518
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 143A^2
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Melting Point: 56-64°C
  • Boiling Point: 587.3±50.0 °C at 760 mmHg
  • Flash Point: 309.0±30.1 °C
  • Refractive Index: 1.61
  • Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
  • PSA: 142.75000
  • LogP: -0.06720
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

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