Estrone-d2

CAS: 56588-58-0

Ref. TR-E889051

Product Information

• Name: Estrone-d2
• Synonyms: Estra-1,3,5(10)-trien-17-one-16,16-d2, 3-hydroxy-, 3-Hydroxyestra-1,3,5(10)-trien-17-one-16,16-d2, 16,16-Dideutero-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrone-(16,16-D2), Estrone-16,16-D2
• CAS: 56588-58-0

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: 272.38
• Formula: C₁₈H₂₀D₂O₂
• Color/Form: Off-White
• 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/i7D2
• InChI key: InChIKey=DNXHEGUUPJUMQT-XIMAIENTSA-N
• SMILES: [2H]C1([2H])C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O