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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.

Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4]

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General Information
Catalog: BLP-010802
CAS: 352431-50-6
Molecular Formula: C18H19D4NaO5S
Molecular Weight: 378.45
Chemical Structure
Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4]
Description Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4] is the labelled analogue of Sodium 17beta-Estradiol 3-Sulfate, which is a derivative of Estradiol. Estradiol​ is the major estrogen secreted by the premenopausal ovary.
Synonyms Estradiol Sulphate D4 sodium; Sodium 17beta-Estradiol-2,4,16,16-d4 3-Sulfate; Sodium 17beta-estradiol sulfate-d4; 17beta-Estradiol 3-O-Sulfate Sodium Salt-d4; beta-Estradiol 3-sulfate sodium salt-d4; 1,3,5(10)-Estratriene-3,17beta-diol 3-sulfate-d4
IUPAC Name sodium;[(8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Related CAS 4999-79-5 (unlabelled) 481-96-9 (unlabelled free acid)
Canonical SMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
InChI InChI=1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D;
InChI Key LMJQCTISQYSLPF-LDBFCMRTSA-M
Purity ≥95%; ≥98% atom D
Solubility Slightly soluble in DMSO, Water
Appearance White to Off-white Solid
Storage Store at -20°C under inert atmosphere
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