Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
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.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-000745 |
CAS: 1346617-35-3 |
Molecular Formula: C18H20D9NO3.HCl |
Molecular Weight: 352.94 |
Chemical Structure |
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Description | (S)-4-Hydroxy Penbutolol-[d9] Hydrochloride is the labelled analogue of (S)-4-Hydroxy Penbutolol Hydrochloride, which is a hydroxylated metabolite of Penbutolol. |
Synonyms | (S)-4-Hydroxy Penbutolol-d9 Hydrochloride; 3-Cyclopentyl-4-[(2S)-3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol Hydrochloride; (S)-3-Cyclopentyl-4-[3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenol Hydrochloride |
IUPAC Name | 3-cyclopentyl-4-[(2S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenol;hydrochloride |
Related CAS | 81542-82-7 (unlabelled free base) 1346617-04-6 (unlabelled) |
Canonical SMILES | CC(C)(C)NCC(COC1=C(C=C(C=C1)O)C2CCCC2)O.Cl |
InChI | InChI=1S/C18H29NO3.ClH/c1-18(2,3)19-11-15(21)12-22-17-9-8-14(20)10-16(17)13-6-4-5-7-13;/h8-10,13,15,19-21H,4-7,11-12H2,1-3H3;1H/t15-;/m0./s1/i1D3,2D3,3D3; |
InChI Key | IRXCLCQOLQYHQP-IMOSCWSWSA-N |
Purity | > 98% |
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