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Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

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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.

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Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Equilin 3-sulfate-[2,4,16,16-d4] sodium salt

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General Information
Catalog: BLP-012931
CAS: 285979-81-9
Molecular Formula: C18H15D4O5S.Na
Molecular Weight: 374.42
Chemical Structure
Equilin 3-sulfate-[2,4,16,16-d4] sodium salt
Description Equilin 3-sulfate-[2,4,16,16-d4] sodium salt is the labelled analogue of Equilin 3-sulfate sodium salt, which is a metabolite of Equilin.
Synonyms Sodium equilin-3-sulfate-2,4,16,16-d4; Equilin-2,4,16,16-d4 3-sulfate sodium salt; 3-(Sulfooxy)estra-1,3,5(10),7-tetraen-17-one-d4 Sodium Salt; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one-d4 Hydrogen Sulfate Sodium Salt; Sodium Equilin-d4 3-Monosulfate; Sodium Equilin-d4 Sulfate
IUPAC Name sodium;[(9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate
Related CAS 16680-47-0 (unlabelled)
Canonical SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+]
InChI InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1/i3D,7D2,10D;
InChI Key QTTMOCOWZLSYSV-HSWWYJIASA-M
Melting Point 230°C
Purity ≥99% by CP; ≥97% atom D
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White to Pale Red Solid
Storage Store at -20°C under inert atmosphere
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