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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.

Benfotiamine-[d5]

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General Information
Catalog: BLP-013836
CAS: 1331669-97-6
Molecular Formula: C19H18D5N4O6PS
Molecular Weight: 471.48
Chemical Structure
Benfotiamine-[d5]
Description Benfotiamine-[d5] is the labelled analogue of Benfotiamine, which is a vitamin B1 analog and an amphiphilic S-acyl thiamine derivative used as a lipid soluble alternative source of bioavailable thiamine.
Synonyms Benfotiamine-d5; (Benzene-d5)carbothioic Acid S-[2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] Ester; Benzoylthiamine-d5 Monophosphate; Berdi-d5; Betivina-d5; Bietamine-d5; Biotamin-d5; Milgamma-d5; Nitanevril-d5; S-Benzoylthiamine-d5 O-Monophosphate; Tabiomyl-d5; Vitanevril-d5; BTMP-d5
IUPAC Name S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] 2,3,4,5,6-pentadeuteriobenzenecarbothioate
Related CAS 22457-89-2 (unlabelled)
Canonical SMILES CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C
InChI InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-/i3D,4D,5D,6D,7D
InChI Key BTNNPSLJPBRMLZ-CSFUHONJSA-N
Purity 99% by HPLC
Solubility Soluble in Aqueous Acid (Slightly), DMSO (Heated, Sonicated)
Appearance Off-white Solid
Storage Store at 2-8°C under inert atmosphere
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