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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.

Equilin-[2,4,16,16-d4]

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General Information
Catalog: BLP-011636
CAS: 285979-79-5
Molecular Formula: C18H16D4O2
Molecular Weight: 272.38
Chemical Structure
Equilin-[2,4,16,16-d4]
Description Equilin-[2,4,16,16-d4] is the labelled analogue of Equilin, which is one of the estrogens present in the mixture of estrogens isolated from horse urine and marketed as Premarin.
Synonyms Equilin-2,4,16,16-d4; 1,3,5,7-Estratetraen-3-ol-17-one-d4; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one-d4; 7-Dehydroestrone-d4; NSC 10971-d4; Equilin-d4
IUPAC Name (9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
Related CAS 474-86-2 (unlabelled)
Canonical SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D
InChI Key WKRLQDKEXYKHJB-DLIXUXMWSA-N
Melting Point 238-240°C
Purity >95%; 98% atom D
Solubility Soluble in Dioxane (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
Appearance White Solid
Storage Store at 2-8°C
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