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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.

6-Hydroxy Buspirone-[d8]

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General Information
Catalog: BLP-009652
CAS: 1189644-16-3
Molecular Formula: C21H23D8N5O3
Molecular Weight: 409.56
Chemical Structure
6-Hydroxy Buspirone-[d8]
Description 6-Hydroxy Buspirone-[d8] is a major active labelled metabolite of Buspirone, a medication indicated for the treatment of anxiety disorders.
Synonyms 6-Hydroxy Buspirone-d8; 6-Hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-d8]-8-azaspiro[4.5]decane-7,9-dione; 6'-Hydroxybuspirone-d8; BMY 28674-d8
IUPAC Name 10-hydroxy-8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CAS 125481-61-0 (unlabelled)
Isomeric SMILES [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)C(C1=O)O)C([2H])([2H])N3CCN(CC3)C4=NC=CC=N4
Canonical SMILES C1CCC2(C1)CC(=O)N(C(=O)C2O)CCCCN3CCN(CC3)C4=NC=CC=N4
InChI InChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2/i3D2,4D2,10D2,11D2
InChI Key KOZNAHJIJGCFJJ-QGZHXTQCSA-N
Melting Point 98-102°C
Purity 95%; ≥98% atom D
Solubility Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance White to Off-White Solid
Storage Store at -20°C
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