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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

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.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Thiamine monochloride-13C4 hydrochloride

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General Information
Catalog: BLP-000242
CAS: 1257525-77-1
Molecular Formula: C813C4H18Cl2N4OS
Molecular Weight: 341.24
Chemical Structure
Thiamine monochloride-13C4 hydrochloride
Description Thiamine-[13C4] hydrochloride, is the labelled analogue of Thiamine. Thiamine or vitamin B1 is a water-soluble vitamin of the B complex, its phosphate derivatives are involved in many cellular processes.
Synonyms Thiamine-(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride;1257525-77-1;Thiamine monochloride-C13 (hydrochloride);HY-N0680S;CS-0129231;Thiamine-(4-methyl-13C-thiazol-5-yl-13C3) hydrochloride, 99 atom % 13C, 98% (CP);
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(113C)methyl-(2,4,5-13C3)1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Related CAS 67-03-8 (unlabelled)
Canonical SMILES [13CH3][13C]([N+](CC(C(N)=N1)=CN=C1C)=[13CH]S2)=[13C]2CCO.[Cl-].Cl
InChI InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1/i1+1,7+1,8+1,11+1;;
InChI Key DPJRMOMPQZCRJU-VJFONHOHSA-M
Melting Point 250 °C (dec) (lit.)
Purity 98% (CP); 99% atom 13C
Appearance Solid
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
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