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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.

Pregnenolone-20,21-13C2-16,16-[d2] sulfate sodium salt

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General Information
Catalog: BLP-001196
Molecular Formula: C19[13C]2H29D2NaO5S
Molecular Weight: 422.52
Chemical Structure
Pregnenolone-20,21-13C2-16,16-[d2] sulfate sodium salt
Description Labelled form of Pregnenolone sulfate sodium salt. Pregnenolone sulfate, a metabolite of the natural steroid hormone pregnenolone, is a neurosteroid that has been demonstrated to antagonize the GABAA receptor chloride channel.
Synonyms 3β-Hydroxy-5-pregnen-20-one 3-sulfate-20,21-13C2-16,16-d2; 5-Pregnen-3β-ol-20-one sulfate-20,21-13C2-16,16-d2
IUPAC Name sodium;[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-16,16-dideuterio-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
Related CAS 1852-38-6 (unlabelled)
Canonical SMILES CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1/i1+1,6D2,13+1;
InChI Key QQVJEIZJHDPTSH-FBNNKSCBSA-M
Melting Point 192 °C (lit.)
Purity 98% by CP; ≥98 atom %
Storage −20°C
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