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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.

rac Desethyl Oxybutynin-[d11] Hydrochloride

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General Information
Catalog: BLP-012094
CAS: 1216405-15-0
Molecular Formula: C20H17D11ClNO3
Molecular Weight: 376.96
Chemical Structure
rac Desethyl Oxybutynin-[d11] Hydrochloride
Description rac Desethyl Oxybutynin-[d11] Hydrochloride is the labelled analogue of rac Desethyl Oxybutynin. rac Desethyl Oxybutynin is a metabolite of Oxybutynin which is an anticholinergic agent.
Synonyms α-(Cyclohexyl-d11)-α-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butynyl Ester Hydrochloride Salt; rac Desethyl Oxybutynin-d11 Hydrochloride
IUPAC Name 4-(ethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Related CAS 81039-77-2 (unlabelled) 1216666-48-6 (free base)
Isomeric SMILES [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(C2=CC=CC=C2)(C(=O)OCC#CCNCC)O)([2H])[2H])([2H])[2H])[2H].Cl
Canonical SMILES CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI InChI=1S/C20H27NO3.ClH/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18;/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3;1H/i4D2,7D2,8D2,13D2,14D2,18D;
InChI Key DSWCYTSHCYXHGW-GXLPIGTQSA-N
Melting Point 121-123°C
Purity 95% atom D
Solubility Soluble in Chloroform, Methanol, Water
Appearance White to Light Tan Solid
Application A labelled metabolite of the drug Oxybutynin (D289475). Used in the treatment of incontinence.
Storage Store at -20°C
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