4-Phenylbutyric D11 Acid

Product Name 4-Phenylbutyric D11 Acid
Alternate Names Phenylbutyric Acid Stable Isotopes, Stable Isotopes of Phenylbutyric Acid
CAT No. CS-O-10122
CAS No. 358730-86-6
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 175.27 g/mol
Mol. For. C₁₀HD₁₁O₂₂
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Phenylbutyric Acid
Purity 99.63
Smileys C1=CC=C(C=C1)CCCC(=O)O
Canonical Smiles C1=CC=C(C=C1)CCCC(=O)O
InchIKey OBKXEAXTFZPCHS-VRWITDQQSA-N
Inchl InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i1D,2D,3D,4D2,5D,6D,7D2,8D2
IUPAC 2,2,3,3,4,4-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butanoic acid
Controlled No
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4-Phenylbutyric D11 Acid (4PBA-D11) is a deuterated derivative of 4-Phenylbutyric Acid (4PBA), which is a chemical compound known for its therapeutic potential. 4PBA-D11 is a stable isotope-labeled compound that is commonly used as a research tool in various biochemical studies. One of the major applications of 4PBA-D11 is in metabolic research, where it is used as a tracer to study the metabolism of 4PBA within the body. Deuterated compounds like 4PBA-D11 contain heavy isotopes of hydrogen, which can be traced using mass spectrometry. This allows scientists to track the metabolic fate of 4PBA in vivo, which can provide valuable insights into the pharmacokinetics and pharmacodynamics of this compound. In addition to its use as a tracer, 4PBA-D11 is also used in chemical synthesis, particularly in the synthesis of other deuterated compounds. This is because the deuterium atoms in 4PBA-D11 can be selectively replaced with other functional groups, which can be used to modify the properties of other compounds. From a chemical perspective, 4PBA-D11 is an organic acid with a molecular weight of 222.35 g/mol. It has a melting point of 70-74°C and is soluble in water, ethanol, and other polar solvents. Its chemical structure is similar to that of 4PBA, with the only difference being the presence of deuterium atoms in the molecule.

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