Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-002626 |
CAS: 1189708-92-6 |
Molecular Formula: C10H7D5O2 |
Molecular Weight: 169.23 |
Chemical Structure |
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Description | 2-Phenylbutyric Acid-[d5] is the labelled analogue of 2-Phenylbutyric Acid, which is a metabolite of Butamirate. Butamirate is a cough suppressant. |
Synonyms | 2-Phenylbutyric Acid D5; 2-(Ethyl-d5)-2-phenylacetic Acid; α-(Ethyl-d5)benzeneacetic Acid; (RS)-2-Phenylbutanoic Acid-d5; (+/-)-2-Phenylbutanoic Acid-d5; α-(Ethyl-d5)-α-toluic Acid; α-(Ethyl-d5)phenylacetic Acid |
IUPAC Name | 3,3,4,4,4-pentadeuterio-2-phenylbutanoic acid |
Related CAS | 90-27-7 (unlabelled) |
Isomeric SMILES | [2H]C([2H])([2H])C([2H])([2H])C(C1=CC=CC=C1)C(=O)O |
Canonical SMILES | CCC(C1=CC=CC=C1)C(=O)O |
InChI | InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/i1D3,2D2 |
InChI Key | OFJWFSNDPCAWDK-ZBJDZAJPSA-N |
Melting Point | 39-42 °C |
Solubility | Slightly soluble in Chloroform, DMSO |
Appearance | White to Off-white Low-melting Solid |
Storage | 2-8 °C |
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