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-012617 |
CAS: 1217808-68-8 |
Molecular Formula: C20H20D6ClNO2S2 |
Molecular Weight: 418.5 |
Chemical Structure |
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Description | Tiagabine-[d6] Hydrochloride is the labelled analogue of Tiagabine. Tiagabine is an anticonvulsant medication used in the treatment of epilepsy |
Synonyms | Tiagabine D6 Hydrochloride; (3R)-1-[4,4-Bis(3-(methyl-d3)-2-thienyl)-3-butenyl]-3-piperidinecarboxylic Acid Hydrochloride |
IUPAC Name | (3R)-1-[4,4-bis[3-(trideuteriomethyl)thiophen-2-yl]but-3-enyl]piperidine-3-carboxylic acid;hydrochloride |
Related CAS | 145821-59-6 (unlabelled) |
Canonical SMILES | CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C.Cl |
InChI | InChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1/i1D3,2D3; |
InChI Key | YUKARLAABCGMCN-OUCKJYDLSA-N |
Melting Point | 108-110°C |
Purity | 95% by HPLC; 98% atom D |
Solubility | Soluble in DMSO, Methanol, Water |
Appearance | Off-white to Light Grey Solid |
Storage | Store at -20°C, under inert atmosphere |
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