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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.

4-Hydroxy Estrone-[d4]

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General Information
Catalog: BLP-010571
CAS: 81586-98-3
Molecular Formula: C18H18D4O3
Molecular Weight: 290.39
Chemical Structure
4-Hydroxy Estrone-[d4]
Description 4-Hydroxy Estrone-[d4] is the labelled analogue of 4-Hydroxy Estrone, which is a metabolite of Estradiol.
Synonyms 4-Hydroxy Estrone D4; 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-d4; 3,4-Dihydroxy-1,3,5(10)-estratrien-17-one-d4; 4-Hydroxyestrone-1,2,16,16-d4
IUPAC Name (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Related CAS 3131-23-5 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C)O)O)[2H]
Canonical SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O
InChI InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
InChI Key XQZVQQZZOVBNLU-RFZGAVBWSA-N
Melting Point >189°C (dec.)
Purity 98%; ≥96% atom D
Solubility Slightly soluble in Chloroform, DMSO, Ethanol (Sonicated), Methanol
Appearance Grey to Pale Beige Solid
Storage Store at 2-8°C under inert atmosphere
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