Estrone-d4

CAS: 53866-34-5

Ref. TR-E889052

Product Information

• Name: Estrone-d4
• Synonyms: 3-Hydroxyestra-1,3,5(10)-trien-17-one-d4, 1,3,5(10)-Estratrien-3-ol-17-one-d4, 3-Hydroxy-17-keto-estra-1,3,5-triene-d4, Aquacrine-d4, Crinovaryl-d4, Cristallovar-d4, Crystogen-d4, WAY 164397-d4, Wynestron-d4, 3-hydroxy(2,4,16,16-2H4)estra-1,3,5(10)-trien-17-one

Description

Applications Isotope labelled Estrone (E889050), which is a metabolite of 17β-Estradiol (E888000). During the metabolism, it is in rapid equilibrium with Estriol (E888960) and 17β-Estradiol (E888000) (1). Causes the feminization of male fish at human and animal waste sites (2).Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
References 1. Both, D. et al.: Anal. Prof. Drug Subst. 1983 12 pp135-1892. Goodman-Gruen, D. et al.: J. Clin. Endocrinol. Metab. 1996 Aug;81(8):2999-3003.

• Brand: TRC

Chemical properties

• Molecular weight: 274.39
• Formula: C₁₈H₁₈D₄O₂
• Color/Form: White Solid
• InChI: InChI=1S/C18H22O2/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,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
• InChI key: InChIKey=DNXHEGUUPJUMQT-QSPUTOQOSA-N
• SMILES: [2H]c1cc2c(c([2H])c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C([2H])([2H])C[C@@H]12