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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.

N-Butylscopolammonium Bromide-[d9]

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General Information
Catalog: BLP-006052
Molecular Formula: C21H21D9BrNO4
Molecular Weight: 449.43
Chemical Structure
N-Butylscopolammonium Bromide-[d9]
Description N-Butylscopolammonium Bromide-[d9] is the labelled analogue of N-Butylscopolammonium Bromide, which is a muscarinic antagonist and an antispasmodic drug.
Synonyms N-Butylscopolammonium Bromide D9; Hyoscine Butylbromide-d9; (S)-(1α,2β,4β,5α,7β)]-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide-d9; (-)-Scopolamine Butylbromide-d9; Amisepan-d9; Buscopan-d9; Stibron-d9; Tirantil-d9
IUPAC Name [(1S,2S,4R,5R)-9-methyl-9-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
Related CAS 149-64-4 (unlabelled)
Canonical SMILES CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
InChI InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1/i1D3,3D2,4D2,10D2;
InChI Key HOZOZZFCZRXYEK-GZZKIYEGSA-M
Purity ≥95%; ≥99% atom D
Solubility Slightly soluble in DMSO, Water (Sonicated)
Appearance White to Off-white Solid
Storage Store at-20°C under inert atmosphere
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