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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.

Bufuralol-[d9] Hydrochloride

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General Information
Catalog: BLP-011821
CAS: 1173023-51-2
Molecular Formula: C16H15D9ClNO2
Molecular Weight: 306.88
Chemical Structure
Bufuralol-[d9] Hydrochloride
Description Bufuralol-[d9] Hydrochloride is the labelled analogue of Bufuralol, which is a β-adrenoceptor blocker with partial peripheral vasodilating activity and is used for the treatment of hypertension.
Synonyms Bufuralol D9 Hydrochloride; α-[[(1,1-Dimethylethyl)-amino]methyl]-7-ethyl-2-benzofuranmethanol-d9 Hydrochloride; Ro-3-4787-d9 Hydrochloride; Angium-d9; Bufuralol-(t-butyl-d9) hydrochloride
IUPAC Name 1-(7-ethyl-1-benzofuran-2-yl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol;hydrochloride
Related CAS 59652-29-8 (unlabelled) 1173148-05-4 (free base) 60398-91-6 (unlabelled) 54340-62-4 (unlabelled free base)
Isomeric SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC2=C(O1)C(=CC=C2)CC)O.Cl
Canonical SMILES CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O.Cl
InChI InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H/i2D3,3D3,4D3;
InChI Key KJBONRGCLLBWCJ-WWMMTMLWSA-N
Melting Point 132-135°C
Purity ≥95%; ≥99% atom D
Solubility Soluble in Methanol (Slightly)
Appearance Off-White to Pale Beige Solid
Storage Store at -20°C under inert atmosphere
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